N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H18N4OS2/c1-13-10-14(2)23-21(22-13)27-12-19(26)24-16-7-5-6-15(11-16)20-25-17-8-3-4-9-18(17)28-20/h3-11H,12H2,1-2H3,(H,24,26)