N-cyclopropyl-4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-cyclopropyl-4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-cyclopropyl-4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]benzamide Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CC3)C

InChI

InChI=1S/C18H20N4O2S/c1-11-9-12(2)20-18(19-11)25-10-16(23)21-14-5-3-13(4-6-14)17(24)22-15-7-8-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,21,23)(H,22,24)