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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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