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

Systemtic Name: 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methoxy-quinoline-3-carbonitrile Openeye Name: 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methoxy-quinoline-3-carbonitrile CAS Name: 2-[[2-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methoxyquinoline-3-carbonitrile Traditional Name: 2-[[2-[4-(4-hydroxyphenyl)piperazino]-2-keto-ethyl]thio]-6-methoxy-quinoline-3-carbonitrile Formula: C23H22N4O3S MolecularWeight: 434.51078

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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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3S/c1-30-20-6-7-21-16(13-20)12-17(14-24)23(25-21)31-15-22(29)27-10-8-26(9-11-27)18-2-4-19(28)5-3-18/h2-7,12-13,28H,8-11,15H2,1H3