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

Systemtic Name: dimethyl 3-methyl-5-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C21H32N2O4S2 MolecularWeight: 440.61978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S2/c1-7-21(3,4)13-8-10-14(11-9-13)22-20(28)23-17-15(18(24)26-5)12(2)16(29-17)19(25)27-6/h13-14H,7-11H2,1-6H3,(H2,22,23,28)