2-[4-(phenylmethyl)piperidin-1-yl]-5-(2-phenylsulfanylethanoylamino)-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-yl]-5-(2-phenylsulfanylethanoylamino)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-[(2-phenylsulfanylacetyl)amino]-N-(3-pyridylmethyl)benzamide CAS Name: 5-[[1-oxo-2-(phenylthio)ethyl]amino]-2-[4-(phenylmethyl)-1-piperidinyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(2-phenylsulfanylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-[[2-(phenylthio)acetyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C33H34N4O2S MolecularWeight: 550.71366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CSC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C(C=C(C=C3)NC(=O)CSC4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C33H34N4O2S/c38-32(24-40-29-11-5-2-6-12-29)36-28-13-14-31(30(21-28)33(39)35-23-27-10-7-17-34-22-27)37-18-15-26(16-19-37)20-25-8-3-1-4-9-25/h1-14,17,21-22,26H,15-16,18-20,23-24H2,(H,35,39)(H,36,38)