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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C20H15BrN4OS2 MolecularWeight: 471.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H15BrN4OS2/c1-12-9-16(13-5-3-2-4-6-13)24-19(22-12)27-11-18(26)25-20-23-15-8-7-14(21)10-17(15)28-20/h2-10H,11H2,1H3,(H,23,25,26)