3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoic acid CAS Name: 3-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(3,4-dimethoxyphenyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C16H16N2O4S/c1-21-13-7-6-12(9-14(13)22-2)18-16(23)17-11-5-3-4-10(8-11)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,23)