[4-(phenylmethyl)piperidin-1-yl]-[4-(quinolin-2-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: [4-(phenylmethyl)piperidin-1-yl]-[4-(quinolin-2-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-benzyl-1-piperidyl)-[4-(2-quinolylsulfanylmethyl)phenyl]methanone CAS Name: [4-(phenylmethyl)-1-piperidinyl]-[4-[(2-quinolinylthio)methyl]phenyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-[4-(quinolin-2-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-benzylpiperidino)-[4-[(2-quinolylthio)methyl]phenyl]methanone Formula: C29H28N2OS MolecularWeight: 452.61042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H28N2OS/c32-29(31-18-16-23(17-19-31)20-22-6-2-1-3-7-22)26-12-10-24(11-13-26)21-33-28-15-14-25-8-4-5-9-27(25)30-28/h1-15,23H,16-21H2