S-phenethyl 1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidine-2-carbothioate

Systemtic Name: S-phenethyl 1-(2-oxidanylidene-2-phenyl-ethanoyl)piperidine-2-carbothioate Openeye Name: S-phenethyl 1-(2-oxo-2-phenyl-acetyl)piperidine-2-carbothioate CAS Name: 1-(1,2-dioxo-2-phenylethyl)-2-piperidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 1-(2-oxo-2-phenylacetyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-2-phenyl-acetyl)piperidine-2-carbothioic acid S-phenethyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)SCCC2=CC=CC=C2)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)SCCC2=CC=CC=C2)C(=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c24-20(18-11-5-2-6-12-18)21(25)23-15-8-7-13-19(23)22(26)27-16-14-17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2