ethyl 4-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4S2/c1-4-29-22(26)20-17(16-10-11-18(27-2)19(12-16)28-3)14-31-21(20)25-23(30)24-13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H2,24,25,30)