3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate Openeye Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzoate Traditional Name: 3-[(3,4-dimethoxyphenyl)thiocarbamoylamino]benzoate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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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)/p-1