ethyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H32N2O2S2 MolecularWeight: 444.65308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O2S2/c1-5-28-22(27)19-15-20(16-9-7-6-8-10-16)30-21(19)26-23(29)25-18-13-11-17(12-14-18)24(2,3)4/h6-10,15,17-18H,5,11-14H2,1-4H3,(H2,25,26,29)