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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 4-methoxy-3-(veratroylthiocarbamoylamino)benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-24-13-6-5-11(17(22)23)8-12(13)19-18(27)20-16(21)10-4-7-14(25-2)15(9-10)26-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,27)