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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-chloranylbenzenecarbothioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-chlorobenzenecarbothioate CAS Name: 2-chlorobenzenecarbothioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-chlorobenzenecarbothioate Traditional Name: 2-chlorothiobenzoic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H30ClNO2S MolecularWeight: 444.0292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H30ClNO2S/c1-18(2)14-17-25(15-8-3-9-16-25)24(29)27-21-12-6-7-13-22(21)30-23(28)19-10-4-5-11-20(19)26/h4-7,10-13,18H,3,8-9,14-17H2,1-2H3,(H,27,29)