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

Systemtic Name: methyl 5-ethyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H32N2O2S2 MolecularWeight: 396.61028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2CCC(CC2)C(C)(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2CCC(CC2)C(C)(C)CC)C(=O)OC

InChI

InChI=1S/C20H32N2O2S2/c1-6-15-12-16(18(23)24-5)17(26-15)22-19(25)21-14-10-8-13(9-11-14)20(3,4)7-2/h12-14H,6-11H2,1-5H3,(H2,21,22,25)