1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]carbamate

CAS Registry Number®

184951-88-0
No image available.

CAS Name

1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]carbamate

Molecular Formula

C16H21N5O4S

Molecular Mass

379.43

Cite this Page

1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]carbamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=184951-88-0 (retrieved 2024-09-07) (CAS RN: 184951-88-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21N5O4S/c1-9(2)13(17-15(22)25-16(3,4)5)14(26)20-12-8-10(21(23)24)6-7-11(12)18-19-20/h6-9,13H,1-5H3,(H,17,22)/t13-/m0/s1

InChIKey

InChIKey=XFVHUHJBRJYSAP-ZDUSSCGKSA-N

SMILES

C([C@@H](NC(OC(C)(C)C)=O)[C@H](C)C)(=S)N1C=2C(N=N1)=CC=C(N(=O)=O)C2

Canonical SMILES

O=C(OC(C)(C)C)NC(C(=S)N1N=NC=2C=CC(=CC21)N(=O)=O)C(C)C

Other Names for this Substance

  • Carbamic acid, N-[(1S)-2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]-, 1,1-dimethylethyl ester, (S)-
  • Carbamic acid, [(1S)-2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(1S)-2-methyl-1-[(6-nitro-1H-benzotriazol-1-yl)thioxomethyl]propyl]carbamate