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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-ethyl-1-piperazinyl)methyl]phenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[4-[(4-ethylpiperazino)methyl]phenyl]quinoline-3-carbonitrile Formula: C35H32ClN5S MolecularWeight: 590.18008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(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

CCN1CCN(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/C35H32ClN5S/c1-2-40-16-18-41(19-17-40)24-25-8-10-26(11-9-25)27-12-14-31-33(20-27)38-23-28(22-37)35(31)39-29-13-15-34(32(36)21-29)42-30-6-4-3-5-7-30/h3-15,20-21,23H,2,16-19,24H2,1H3,(H,38,39)