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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC=CC(=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NC=CC(=N4)C

InChI

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