8-methyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 8-methyl-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 8-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 8-methyl-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 8-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-8-methyl-quinoline-3-carbonitrile Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-17-6-5-7-18-14-19(15-24)23(25-22(17)18)29-16-21(28)27-12-10-26(11-13-27)20-8-3-2-4-9-20/h2-9,14H,10-13,16H2,1H3