S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)piperidine-2-carbothioate

Systemtic Name: S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxidanylidene-butanoyl)piperidine-2-carbothioate Openeye Name: S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxo-butanoyl)piperidine-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxobutyl)-2-piperidinecarbothioic acid S-(4-phenylbutyl) ester IUPAC Name: S-(4-phenylbutyl) 1-(3,3-dimethyl-2-oxobutanoyl)piperidine-2-carbothioate Traditional Name: 1-(2-keto-3,3-dimethyl-butanoyl)piperidine-2-carbothioic acid S-(4-phenylbutyl) ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)SCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO3S/c1-22(2,3)19(24)20(25)23-15-9-7-14-18(23)21(26)27-16-10-8-13-17-11-5-4-6-12-17/h4-6,11-12,18H,7-10,13-16H2,1-3H3