4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[(4-methylpiperazin-1-yl)methyl]quinoline-5-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[(4-methylpiperazin-1-yl)methyl]quinoline-5-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[(4-methylpiperazin-1-yl)methyl]quinoline-5-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[(4-methyl-1-piperazinyl)methyl]-5-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[(4-methylpiperazin-1-yl)methyl]quinoline-5-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[(4-methylpiperazino)methyl]quinoline-5-carbonitrile Formula: C28H26ClN5S MolecularWeight: 500.05754

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC3=NC=CC(=C3C(=C2)C#N)NC4=CC(=C(C=C4)SC5=CC=CC=C5)Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC3=NC=CC(=C3C(=C2)C#N)NC4=CC(=C(C=C4)SC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H26ClN5S/c1-33-11-13-34(14-12-33)19-20-15-21(18-30)28-25(9-10-31-26(28)16-20)32-22-7-8-27(24(29)17-22)35-23-5-3-2-4-6-23/h2-10,15-17H,11-14,19H2,1H3,(H,31,32)