2-[(2-carboxyphenyl)carbonylcarbamothioylcarbamoyl]benzoic acid

Systemtic Name: 2-[(2-carboxyphenyl)carbonylcarbamothioylcarbamoyl]benzoic acid Openeye Name: 2-[(2-carboxybenzoyl)carbamothioylcarbamoyl]benzoic acid CAS Name: 2-[[[[[(2-carboxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(2-carboxybenzoyl)carbamothioylcarbamoyl]benzoic acid Traditional Name: 2-[(2-carboxybenzoyl)thiocarbamoylcarbamoyl]benzoic acid Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC(=O)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C17H12N2O6S/c20-13(9-5-1-3-7-11(9)15(22)23)18-17(26)19-14(21)10-6-2-4-8-12(10)16(24)25/h1-8H,(H,22,23)(H,24,25)(H2,18,19,20,21,26)