4-(1,3-dithian-2-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[3-(2-methyl-4-pyrimidinyl)phenyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C22H21N3OS2/c1-15-23-11-10-20(24-15)18-4-2-5-19(14-18)25-21(26)16-6-8-17(9-7-16)22-27-12-3-13-28-22/h2,4-11,14,22H,3,12-13H2,1H3,(H,25,26)