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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] propanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] propanethioate CAS Name: propanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] propanethioate Traditional Name: propanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC1=CC=CC=C1NC(=O)C2(CCCCC2)CCC(C)C

Isomeric SMILES

CCC(=O)SC1=CC=CC=C1NC(=O)C2(CCCCC2)CCC(C)C

InChI

InChI=1S/C21H31NO2S/c1-4-19(23)25-18-11-7-6-10-17(18)22-20(24)21(15-12-16(2)3)13-8-5-9-14-21/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3,(H,22,24)