4-[(3,5-dimethoxyphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(3,5-dimethoxyphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(3,5-dimethoxyphenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(3,5-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(3,5-dimethoxyphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-[(3,5-dimethoxyphenyl)thiocarbamoylamino]benzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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