3-[[[[4-(1-Methylethyl)benzoyl]amino]thioxomethyl]amino]benzoic acid

CAS Registry Number®

433952-68-2
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CAS Name

3-[[[[4-(1-Methylethyl)benzoyl]amino]thioxomethyl]amino]benzoic acid

Molecular Formula

C18H18N2O3S

Molecular Mass

342.41

Cite this Page

3-[[[[4-(1-Methylethyl)benzoyl]amino]thioxomethyl]amino]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=433952-68-2 (retrieved 2024-09-09) (CAS RN: 433952-68-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18N2O3S/c1-11(2)12-6-8-13(9-7-12)16(21)20-18(24)19-15-5-3-4-14(10-15)17(22)23/h3-11H,1-2H3,(H,22,23)(H2,19,20,21,24)

InChIKey

InChIKey=LUDZMGOHPHOLTG-UHFFFAOYSA-N

SMILES

N(C(NC(=O)C1=CC=C(C(C)C)C=C1)=S)C2=CC(C(O)=O)=CC=C2

Canonical SMILES

O=C(O)C=1C=CC=C(C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Other Names for this Substance

  • Benzoic acid, 3-[[[[4-(1-methylethyl)benzoyl]amino]thioxomethyl]amino]-
  • 3-[[[[4-(1-Methylethyl)benzoyl]amino]thioxomethyl]amino]benzoic acid