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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-methylpiperazino)methyl]phenyl]quinoline-3-carbonitrile Formula: C34H30ClN5S MolecularWeight: 576.1535

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C34H30ClN5S/c1-39-15-17-40(18-16-39)23-24-7-9-25(10-8-24)26-11-13-30-32(19-26)37-22-27(21-36)34(30)38-28-12-14-33(31(35)20-28)41-29-5-3-2-4-6-29/h2-14,19-20,22H,15-18,23H2,1H3,(H,37,38)