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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-(veratroylthiocarbamoylamino)benzoic acid Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c1-23-13-7-6-10(9-14(13)24-2)15(20)19-17(25)18-12-5-3-4-11(8-12)16(21)22/h3-9H,1-2H3,(H,21,22)(H2,18,19,20,25)