S-[2-(azepan-1-ylcarbonyl)phenyl] propanethioate

Systemtic Name: S-[2-(azepan-1-ylcarbonyl)phenyl] propanethioate Openeye Name: S-[2-(azepane-1-carbonyl)phenyl] propanethioate CAS Name: propanethioic acid S-[2-[1-azepanyl(oxo)methyl]phenyl] ester IUPAC Name: S-[2-(azepane-1-carbonyl)phenyl] propanethioate Traditional Name: propanethioic acid S-[2-(azepane-1-carbonyl)phenyl] ester Formula: C16H21NO2S MolecularWeight: 291.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CCC(=O)SC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO2S/c1-2-15(18)20-14-10-6-5-9-13(14)16(19)17-11-7-3-4-8-12-17/h5-6,9-10H,2-4,7-8,11-12H2,1H3