S-phenethyl 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)piperidine-2-carbothioate

Systemtic Name: S-phenethyl 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)piperidine-2-carbothioate Openeye Name: S-phenethyl 1-(3,3-dimethyl-2-oxo-butanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-2-piperidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 1-(3,3-dimethyl-2-oxobutanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)piperidine-2-carbothioic acid S-phenethyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO3S/c1-20(2,3)17(22)18(23)21-13-8-7-11-16(21)19(24)25-14-12-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3