ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H34N2O2S2 MolecularWeight: 458.67966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C25H34N2O2S2/c1-5-25(3,4)18-12-14-19(15-13-18)26-24(30)27-22-20(23(28)29-6-2)16-21(31-22)17-10-8-7-9-11-17/h7-11,16,18-19H,5-6,12-15H2,1-4H3,(H2,26,27,30)