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

Systemtic Name: 6,7-dimethoxy-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile Openeye Name: 6,7-dimethoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinoline-3-carbonitrile CAS Name: 6,7-dimethoxy-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinolinecarbonitrile IUPAC Name: 6,7-dimethoxy-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-6,7-dimethoxy-quinoline-3-carbonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=N2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C24H24N4O3S/c1-30-21-13-17-12-18(15-25)24(26-20(17)14-22(21)31-2)32-16-23(29)28-10-8-27(9-11-28)19-6-4-3-5-7-19/h3-7,12-14H,8-11,16H2,1-2H3