methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H32N2O2S2/c1-24(2,3)17-10-12-18(13-11-17)25-23(29)26-21-20(22(27)28-4)15-19(30-21)14-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3,(H2,25,26,29)