2-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 2-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-6-methoxy-7-(4-methyl-1-piperazinyl)-3-quinolinecarbonitrile IUPAC Name: 2-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carbonitrile Traditional Name: 2-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-6-methoxy-7-(4-methylpiperazino)quinoline-3-carbonitrile Formula: C26H26ClN7OS MolecularWeight: 520.04894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C=C(C(=NC3=C2)NC4=CC(=C(C=C4)SC5=NC=CN5C)Cl)C#N)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C=C(C(=NC3=C2)NC4=CC(=C(C=C4)SC5=NC=CN5C)Cl)C#N)OC

InChI

InChI=1S/C26H26ClN7OS/c1-32-8-10-34(11-9-32)22-15-21-17(13-23(22)35-3)12-18(16-28)25(31-21)30-19-4-5-24(20(27)14-19)36-26-29-6-7-33(26)2/h4-7,12-15H,8-11H2,1-3H3,(H,30,31)