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

Systemtic Name: ethyl 2-[(4-methylcyclohexyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-methylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4-methylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCC(CC3)C

InChI

InChI=1S/C22H28N2O2S2/c1-3-26-21(25)19-14-18(13-16-7-5-4-6-8-16)28-20(19)24-22(27)23-17-11-9-15(2)10-12-17/h4-8,14-15,17H,3,9-13H2,1-2H3,(H2,23,24,27)