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

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-methyl-2-(1H-perimidin-2-ylsulfanyl)-N-(p-tolylmethyl)acetamide CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-methyl-N-(4-methylbenzyl)-2-(1H-perimidin-2-ylthio)acetamide Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-15-9-11-16(12-10-15)13-25(2)20(26)14-27-22-23-18-7-3-5-17-6-4-8-19(24-22)21(17)18/h3-12H,13-14H2,1-2H3,(H,23,24)