4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid CAS Name: 4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]benzoic acid Traditional Name: 4-(homoveratrylthiocarbamoylamino)benzoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4S/c1-23-15-8-3-12(11-16(15)24-2)9-10-19-18(25)20-14-6-4-13(5-7-14)17(21)22/h3-8,11H,9-10H2,1-2H3,(H,21,22)(H2,19,20,25)