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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C20H32N2O2S2/c1-7-20(4,5)14-8-10-15(11-9-14)21-19(25)22-17-16(18(23)24-6)12(2)13(3)26-17/h14-15H,7-11H2,1-6H3,(H2,21,22,25)