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

Systemtic Name: 6-methoxy-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6-methoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6-methoxy-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-6-methoxy-quinoline-3-carbonitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-29-20-7-8-21-17(14-20)13-18(15-24)23(25-21)30-16-22(28)27-11-9-26(10-12-27)19-5-3-2-4-6-19/h2-8,13-14H,9-12,16H2,1H3