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

Systemtic Name: ethyl 5-methyl-2-[(2-methylcyclohexyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(2-methylcyclohexyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(2-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(2-methylcyclohexyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-methylcyclohexyl)thiocarbamoylamino]-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NC3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCCCC3C

InChI

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