ethyl 2-(cycloheptylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(cycloheptylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(cycloheptylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cycloheptylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(cycloheptylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cycloheptylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCCCC3

InChI

InChI=1S/C22H28N2O2S2/c1-2-26-21(25)19-15-18(14-16-10-6-5-7-11-16)28-20(19)24-22(27)23-17-12-8-3-4-9-13-17/h5-7,10-11,15,17H,2-4,8-9,12-14H2,1H3,(H2,23,24,27)