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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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