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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=NC(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC=NC(=C3)C

InChI

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