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

Systemtic Name: ethyl 5-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H36N2O2S2 MolecularWeight: 472.70624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H36N2O2S2/c1-6-26(4,5)19-13-15-20(16-14-19)27-25(31)28-23-22(24(29)30-7-2)21(17(3)32-23)18-11-9-8-10-12-18/h8-12,19-20H,6-7,13-16H2,1-5H3,(H2,27,28,31)