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

Systemtic Name: 5-oxidanylidene-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-7,8-dihydro-6H-quinoline-3-carbonitrile Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile CAS Name: 5-oxo-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-7,8-dihydro-6H-quinoline-3-carbonitrile IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-5-keto-7,8-dihydro-6H-quinoline-3-carbonitrile Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=N2)SCC(=O)N3CCC(CC3)CC4=CC=CC=C4)C#N)C(=O)C1

InChI

InChI=1S/C24H25N3O2S/c25-15-19-14-20-21(7-4-8-22(20)28)26-24(19)30-16-23(29)27-11-9-18(10-12-27)13-17-5-2-1-3-6-17/h1-3,5-6,14,18H,4,7-13,16H2