methyl 2-(cycloheptylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(cycloheptylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cycloheptylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cycloheptylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cycloheptylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(cycloheptylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S2/c1-24-19(23)16-13-17(14-9-5-4-6-10-14)26-18(16)22-20(25)21-15-11-7-2-3-8-12-15/h4-6,9-10,13,15H,2-3,7-8,11-12H2,1H3,(H2,21,22,25)