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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-chloranylethanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-chloroethanethioate CAS Name: 2-chloroethanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-chloroethanethioate Traditional Name: 2-chloroethanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C20H28ClNO2S MolecularWeight: 381.95982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)CCl

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)CCl

InChI

InChI=1S/C20H28ClNO2S/c1-15(2)10-13-20(11-6-3-7-12-20)19(24)22-16-8-4-5-9-17(16)25-18(23)14-21/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,22,24)