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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[4-(1,1-dimethylpropyl)cyclohexyl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-tert-amylcyclohexyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H35N3O3S2 MolecularWeight: 453.6616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S2/c1-8-22(3,4)14-9-11-15(12-10-14)23-21(29)24-18-16(20(27)28-7)13(2)17(30-18)19(26)25(5)6/h14-15H,8-12H2,1-7H3,(H2,23,24,29)