N-[3-[1-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]piperidine-4-carboxamide

Systemtic Name: N-[3-[1-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]piperidine-4-carboxamide Openeye Name: N-[3-[1-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]-4-piperidyl]-4-methyl-phenyl]piperidine-4-carboxamide CAS Name: N-[3-[1-[[4-[(4-methoxyphenyl)thio]phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[1-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]piperidin-4-yl]-4-methylphenyl]piperidine-4-carboxamide Traditional Name: N-[3-[1-[4-[(4-methoxyphenyl)thio]benzyl]-4-piperidyl]-4-methyl-phenyl]isonipecotamide Formula: C32H39N3O2S MolecularWeight: 529.73596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCNCC2)C3CCN(CC3)CC4=CC=C(C=C4)SC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCNCC2)C3CCN(CC3)CC4=CC=C(C=C4)SC5=CC=C(C=C5)OC

InChI

InChI=1S/C32H39N3O2S/c1-23-3-6-27(34-32(36)26-13-17-33-18-14-26)21-31(23)25-15-19-35(20-16-25)22-24-4-9-29(10-5-24)38-30-11-7-28(37-2)8-12-30/h3-12,21,25-26,33H,13-20,22H2,1-2H3,(H,34,36)