methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-(homoveratrylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S2/c1-21-13-5-4-11(10-14(13)22-2)6-8-18-17(24)19-12-7-9-25-15(12)16(20)23-3/h4-5,7,9-10H,6,8H2,1-3H3,(H2,18,19,24)