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

Systemtic Name: S-[4-[[1-(2-ethylbutyl)-4-isocyano-4-nitroso-cyclohexyl]carbonylamino]phenyl] 2-methylpropanethioate Openeye Name: S-[4-[[1-(2-ethylbutyl)-4-isocyano-4-nitroso-cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[4-[[[1-(2-ethylbutyl)-4-isocyano-4-nitrosocyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-[[1-(2-ethylbutyl)-4-isocyano-4-nitrosocyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[4-[[1-(2-ethylbutyl)-4-isocyano-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)(N=O)[N+]#[C-])C(=O)NC2=CC=C(C=C2)SC(=O)C(C)C

Isomeric SMILES

CCC(CC)CC1(CCC(CC1)(N=O)[N+]#[C-])C(=O)NC2=CC=C(C=C2)SC(=O)C(C)C

InChI

InChI=1S/C24H33N3O3S/c1-6-18(7-2)16-23(12-14-24(25-5,27-30)15-13-23)22(29)26-19-8-10-20(11-9-19)31-21(28)17(3)4/h8-11,17-18H,6-7,12-16H2,1-4H3,(H,26,29)