methyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[(3,3,5-trimethylcyclohexyl)amino]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(3,3,5-trimethylcyclohexyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H28N2O2S2 MolecularWeight: 416.59992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1CC(CC(C1)(C)C)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

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