S-(4-oxidanylidene-4-phenylazanyl-butyl) ethanethioate

Systemtic Name: S-(4-oxidanylidene-4-phenylazanyl-butyl) ethanethioate Openeye Name: S-(4-anilino-4-oxo-butyl) ethanethioate CAS Name: ethanethioic acid S-(4-anilino-4-oxobutyl) ester IUPAC Name: S-(4-anilino-4-oxobutyl) ethanethioate Traditional Name: ethanethioic acid S-(4-anilino-4-keto-butyl) ester Formula: C12H15NO2S MolecularWeight: 237.318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C12H15NO2S/c1-10(14)16-9-5-8-12(15)13-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,13,15)