3-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3,4-dimethylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3,4-dimethylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H16N2O3S/c1-10-6-7-12(8-11(10)2)15(20)19-17(23)18-14-5-3-4-13(9-14)16(21)22/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,23)