7,7-dimethyl-5-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-6,8-dihydroquinoline-3-carbonitrile Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-5-oxo-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-6,8-dihydroquinoline-3-carbonitrile IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-5-keto-7,7-dimethyl-6,8-dihydroquinoline-3-carbonitrile Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C(C(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C#N)C(=O)C1)C

InChI

InChI=1S/C26H29N3O2S/c1-26(2)14-22-21(23(30)15-26)13-20(16-27)25(28-22)32-17-24(31)29-10-8-19(9-11-29)12-18-6-4-3-5-7-18/h3-7,13,19H,8-12,14-15,17H2,1-2H3