S-[4-isocyano-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[4-isocyano-2-[(1-methylcyclohexyl)carbonylamino]phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[4-isocyano-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[4-isocyano-2-[[(1-methylcyclohexyl)-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-isocyano-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[4-isocyano-2-[(1-methylcyclohexanecarbonyl)amino]phenyl] ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)[N+]#[C-])SC(=O)C(C)(C)C

Isomeric SMILES

CC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)[N+]#[C-])SC(=O)C(C)(C)C

InChI

InChI=1S/C20H26N2O2S/c1-19(2,3)18(24)25-16-10-9-14(21-5)13-15(16)22-17(23)20(4)11-7-6-8-12-20/h9-10,13H,6-8,11-12H2,1-4H3,(H,22,23)