ethyl 2-[(3-chlorophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorophenyl)methylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)methylcarbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19ClN2O2S2 MolecularWeight: 430.97076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O2S2/c1-2-26-20(25)17-12-18(15-8-4-3-5-9-15)28-19(17)24-21(27)23-13-14-7-6-10-16(22)11-14/h3-12H,2,13H2,1H3,(H2,23,24,27)