S-[4-[[4-cyano-1-(2-ethylbutyl)-4-nitroso-cyclohexyl]carbonylamino]phenyl] 2-methylpropanethioate

Systemtic Name: S-[4-[[4-cyano-1-(2-ethylbutyl)-4-nitroso-cyclohexyl]carbonylamino]phenyl] 2-methylpropanethioate Openeye Name: S-[4-[[4-cyano-1-(2-ethylbutyl)-4-nitroso-cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[4-[[[4-cyano-1-(2-ethylbutyl)-4-nitrosocyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-[[4-cyano-1-(2-ethylbutyl)-4-nitrosocyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[4-[[4-cyano-1-(2-ethylbutyl)-4-nitroso-cyclohexanecarbonyl]amino]phenyl] ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O3S/c1-5-18(6-2)15-23(11-13-24(16-25,27-30)14-12-23)22(29)26-19-7-9-20(10-8-19)31-21(28)17(3)4/h7-10,17-18H,5-6,11-15H2,1-4H3,(H,26,29)