methyl 4-(2-ethylbutyl)-4-[[4-(2-methylpropanoylsulfanyl)phenyl]carbamoyl]-1-nitroso-cyclohexane-1-carboxylate

Systemtic Name: methyl 4-(2-ethylbutyl)-4-[[4-(2-methylpropanoylsulfanyl)phenyl]carbamoyl]-1-nitroso-cyclohexane-1-carboxylate Openeye Name: methyl 4-(2-ethylbutyl)-4-[[4-(2-methylpropanoylsulfanyl)phenyl]carbamoyl]-1-nitroso-cyclohexanecarboxylate CAS Name: 4-(2-ethylbutyl)-4-[[4-[(2-methyl-1-oxopropyl)thio]anilino]-oxomethyl]-1-nitroso-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-ethylbutyl)-4-[[4-(2-methylpropanoylsulfanyl)phenyl]carbamoyl]-1-nitrosocyclohexane-1-carboxylate Traditional Name: 4-(2-ethylbutyl)-4-[[4-(isobutyrylthio)phenyl]carbamoyl]-1-nitroso-cyclohexanecarboxylic acid methyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCC(CC1)(C(=O)OC)N=O)C(=O)NC2=CC=C(C=C2)SC(=O)C(C)C

Isomeric SMILES

CCC(CC)CC1(CCC(CC1)(C(=O)OC)N=O)C(=O)NC2=CC=C(C=C2)SC(=O)C(C)C

InChI

InChI=1S/C25H36N2O5S/c1-6-18(7-2)16-24(12-14-25(27-31,15-13-24)23(30)32-5)22(29)26-19-8-10-20(11-9-19)33-21(28)17(3)4/h8-11,17-18H,6-7,12-16H2,1-5H3,(H,26,29)