2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-7-methyl-quinoline-3-carbonitrile

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-7-methyl-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-7-methyl-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-7-methyl-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-7-methylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-7-methyl-quinoline-3-carbonitrile Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C#N

InChI

InChI=1S/C24H24N4O2S/c1-17-3-4-18-14-19(15-25)24(26-22(18)13-17)31-16-23(29)28-11-9-27(10-12-28)20-5-7-21(30-2)8-6-20/h3-8,13-14H,9-12,16H2,1-2H3