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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-[(4-oxidanylpiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-[(4-hydroxy-1-piperidyl)methyl]-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-hydroxy-1-piperidinyl)methyl]-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-[(4-hydroxypiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-[(4-hydroxypiperidino)methyl]-3-thienyl]quinoline-3-carbonitrile Formula: C32H27ClN4OS2 MolecularWeight: 583.16598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)CC2=CC(=CS2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5)SC6=CC=CC=C6)Cl)C#N

Isomeric SMILES

C1CN(CCC1O)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/C32H27ClN4OS2/c33-29-16-24(7-9-31(29)40-26-4-2-1-3-5-26)36-32-23(17-34)18-35-30-15-21(6-8-28(30)32)22-14-27(39-20-22)19-37-12-10-25(38)11-13-37/h1-9,14-16,18,20,25,38H,10-13,19H2,(H,35,36)