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

Systemtic Name: 4-[(3-chloranyl-4-phenylsulfanyl-phenyl)amino]-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-phenylsulfanyl-anilino)-7-[5-(1-piperidylmethyl)-3-thienyl]quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-(1-piperidinylmethyl)-3-thiophenyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-phenylsulfanylanilino)-7-[5-(piperidin-1-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-(phenylthio)anilino]-7-[5-(piperidinomethyl)-3-thienyl]quinoline-3-carbonitrile Formula: C32H27ClN4S2 MolecularWeight: 567.16658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(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

C1CCN(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/C32H27ClN4S2/c33-29-17-25(10-12-31(29)39-26-7-3-1-4-8-26)36-32-24(18-34)19-35-30-16-22(9-11-28(30)32)23-15-27(38-21-23)20-37-13-5-2-6-14-37/h1,3-4,7-12,15-17,19,21H,2,5-6,13-14,20H2,(H,35,36)