N-[(4-methylphenyl)methyl]-2-(2-pyrimidin-2-ylsulfanylethanoylamino)benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(2-pyrimidin-2-ylsulfanylethanoylamino)benzamide Openeye Name: N-(p-tolylmethyl)-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzamide Traditional Name: N-(4-methylbenzyl)-2-[[2-(2-pyrimidylthio)acetyl]amino]benzamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C21H20N4O2S/c1-15-7-9-16(10-8-15)13-24-20(27)17-5-2-3-6-18(17)25-19(26)14-28-21-22-11-4-12-23-21/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26)