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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-(veratroylthiocarbamoylamino)benzoic acid Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H18N2O5S/c1-10-4-5-12(17(22)23)8-13(10)19-18(26)20-16(21)11-6-7-14(24-2)15(9-11)25-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,26)