6,7-dimethoxy-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile

Systemtic Name: 6,7-dimethoxy-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC(=C(C=C4C=C3C#N)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC(=C(C=C4C=C3C#N)OC)OC

InChI

InChI=1S/C25H26N4O4S/c1-31-20-6-4-19(5-7-20)28-8-10-29(11-9-28)24(30)16-34-25-18(15-26)12-17-13-22(32-2)23(33-3)14-21(17)27-25/h4-7,12-14H,8-11,16H2,1-3H3