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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-methyl-1-piperazinyl)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-methylpiperazino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C32H28ClN5S2 MolecularWeight: 582.18122

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CS2)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(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C32H28ClN5S2/c1-37-11-13-38(14-12-37)20-27-15-23(21-39-27)22-7-9-28-30(16-22)35-19-24(18-34)32(28)36-25-8-10-31(29(33)17-25)40-26-5-3-2-4-6-26/h2-10,15-17,19,21H,11-14,20H2,1H3,(H,35,36)