N-(3-methylphenyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-butanamide Openeye Name: 4-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)butanamide CAS Name: N-(3-methylphenyl)-4-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]butanamide IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 4-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-N-(m-tolyl)butyramide Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O2S/c1-20-7-5-10-23(17-20)26-24(28)11-6-16-30-19-25(29)27-14-12-22(13-15-27)18-21-8-3-2-4-9-21/h2-5,7-10,17,22H,6,11-16,18-19H2,1H3,(H,26,28)