2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)-4-[[(phenylmethyl)-pyridin-3-yl-amino]methyl]benzamide

Systemtic Name: 2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)-4-[[(phenylmethyl)-pyridin-3-yl-amino]methyl]benzamide Openeye Name: 4-[[benzyl(3-pyridyl)amino]methyl]-N-(3-methylsulfanylpropyl)-2-(o-tolyl)benzamide CAS Name: 2-(2-methylphenyl)-N-[3-(methylthio)propyl]-4-[[(phenylmethyl)-(3-pyridinyl)amino]methyl]benzamide IUPAC Name: 4-[[benzyl(pyridin-3-yl)amino]methyl]-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)benzamide Traditional Name: 4-[[benzyl(3-pyridyl)amino]methyl]-N-[3-(methylthio)propyl]-2-(o-tolyl)benzamide Formula: C31H33N3OS MolecularWeight: 495.67822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)NCCCSC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)NCCCSC

InChI

InChI=1S/C31H33N3OS/c1-24-10-6-7-14-28(24)30-20-26(15-16-29(30)31(35)33-18-9-19-36-2)23-34(27-13-8-17-32-21-27)22-25-11-4-3-5-12-25/h3-8,10-17,20-21H,9,18-19,22-23H2,1-2H3,(H,33,35)