ethyl 5-methyl-4-phenyl-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-3-26-21(25)19-18(17-12-8-5-9-13-17)15(2)28-20(19)24-22(27)23-14-16-10-6-4-7-11-16/h4-13H,3,14H2,1-2H3,(H2,23,24,27)