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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-pyrrolidin-1-yl-1-piperidyl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-pyrrolidinopiperidino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C36H34ClN5S2 MolecularWeight: 636.27166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)CC3=CC(=CS3)C4=CC5=NC=C(C(=C5C=C4)NC6=CC(=C(C=C6)SC7=CC=CC=C7)Cl)C#N

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)CC3=CC(=CS3)C4=CC5=NC=C(C(=C5C=C4)NC6=CC(=C(C=C6)SC7=CC=CC=C7)Cl)C#N

InChI

InChI=1S/C36H34ClN5S2/c37-33-20-28(9-11-35(33)44-30-6-2-1-3-7-30)40-36-27(21-38)22-39-34-19-25(8-10-32(34)36)26-18-31(43-24-26)23-41-16-12-29(13-17-41)42-14-4-5-15-42/h1-3,6-11,18-20,22,24,29H,4-5,12-17,23H2,(H,39,40)