N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: 2-(1H-perimidin-2-ylsulfanyl)-N-(p-tolylmethyl)acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-(4-methylbenzyl)-2-(1H-perimidin-2-ylthio)acetamide Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C21H19N3OS/c1-14-8-10-15(11-9-14)12-22-19(25)13-26-21-23-17-6-2-4-16-5-3-7-18(24-21)20(16)17/h2-11H,12-13H2,1H3,(H,22,25)(H,23,24)