ethyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-chlorophenyl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[2-(3-chlorophenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[2-(3-chlorophenyl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[2-(3-chlorophenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H23ClN2O2S2 MolecularWeight: 459.02392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H23ClN2O2S2/c1-2-28-22(27)20-15-19(14-16-7-4-3-5-8-16)30-21(20)26-23(29)25-12-11-17-9-6-10-18(24)13-17/h3-10,13,15H,2,11-12,14H2,1H3,(H2,25,26,29)