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

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) butanethioate Openeye Name: S-(7-anilino-7-oxo-heptyl) butanethioate CAS Name: butanethioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) butanethioate Traditional Name: butanethioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2S/c1-2-10-17(20)21-14-9-4-3-8-13-16(19)18-15-11-6-5-7-12-15/h5-7,11-12H,2-4,8-10,13-14H2,1H3,(H,18,19)