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

Systemtic Name: diethyl 3-methyl-5-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H36N2O4S2 MolecularWeight: 468.67294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O4S2/c1-7-23(5,6)15-10-12-16(13-11-15)24-22(30)25-19-17(20(26)28-8-2)14(4)18(31-19)21(27)29-9-3/h15-16H,7-13H2,1-6H3,(H2,24,25,30)