N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetamide Formula: C21H18N4O2S2 MolecularWeight: 422.52322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S2/c1-13-22-17(14-6-4-3-5-7-14)11-20(23-13)28-12-19(26)25-21-24-16-9-8-15(27-2)10-18(16)29-21/h3-11H,12H2,1-2H3,(H,24,25,26)