2-(3-chlorophenyl)sulfanyl-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]quinoline-4-carboxamide

Systemtic Name: 2-(3-chlorophenyl)sulfanyl-N-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]quinoline-4-carboxamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)ethyl]-2-(3-chlorophenyl)sulfanyl-quinoline-4-carboxamide CAS Name: 2-[(3-chlorophenyl)thio]-N-[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-quinolinecarboxamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-(3-chlorophenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(4-benzylpiperidino)ethyl]-2-[(3-chlorophenyl)thio]cinchoninamide Formula: C30H30ClN3OS MolecularWeight: 516.0967

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)SC5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H30ClN3OS/c31-24-9-6-10-25(20-24)36-29-21-27(26-11-4-5-12-28(26)33-29)30(35)32-15-18-34-16-13-23(14-17-34)19-22-7-2-1-3-8-22/h1-12,20-21,23H,13-19H2,(H,32,35)