S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 4-nitrobenzenecarbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N2O4S/c1-18(2)14-17-25(15-6-3-7-16-25)24(29)26-21-8-4-5-9-22(21)32-23(28)19-10-12-20(13-11-19)27(30)31/h4-5,8-13,18H,3,6-7,14-17H2,1-2H3,(H,26,29)