ethyl 2-(cyclohexylcarbamothioylamino)-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-(cyclohexylcarbamothioylamino)-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(cyclohexylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(cyclohexylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylate Traditional Name: 5-benzyl-2-(cyclohexylthiocarbamoylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-3-carboxylic acid ethyl ester Formula: C24H31N3O2S2 MolecularWeight: 457.65184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CN(CC2)CC3=CC=CC=C3)NC(=S)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CN(CC2)CC3=CC=CC=C3)NC(=S)NC4CCCCC4

InChI

InChI=1S/C24H31N3O2S2/c1-2-29-23(28)21-19-16-27(15-17-9-5-3-6-10-17)14-13-20(19)31-22(21)26-24(30)25-18-11-7-4-8-12-18/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3,(H2,25,26,30)