S-(7-oxidanylidene-7-phenylazanyl-heptyl) propanethioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) propanethioate Openeye Name: S-(7-anilino-7-oxo-heptyl) propanethioate CAS Name: propanethioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) propanethioate Traditional Name: propanethioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C16H23NO2S MolecularWeight: 293.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCCCCCCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CCC(=O)SCCCCCCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C16H23NO2S/c1-2-16(19)20-13-9-4-3-8-12-15(18)17-14-10-6-5-7-11-14/h5-7,10-11H,2-4,8-9,12-13H2,1H3,(H,17,18)