4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-methyl-1-piperazinyl)methyl]-2-furanyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-methylpiperazino)methyl]-2-furyl]quinoline-3-carbonitrile Formula: C32H28ClN5OS MolecularWeight: 566.11562

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(O2)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(O2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

InChI

InChI=1S/C32H28ClN5OS/c1-37-13-15-38(16-14-37)21-25-9-11-30(39-25)22-7-10-27-29(17-22)35-20-23(19-34)32(27)36-24-8-12-31(28(33)18-24)40-26-5-3-2-4-6-26/h2-12,17-18,20H,13-16,21H2,1H3,(H,35,36)