N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]propionamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H16N4OS2/c1-10-9-11(2)18-15(17-10)22-8-7-14(21)20-16-19-12-5-3-4-6-13(12)23-16/h3-6,9H,7-8H2,1-2H3,(H,19,20,21)