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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-pyrimidylthio)acetamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4OS2/c1-13-3-8-16-17(11-13)27-19(24-16)14-4-6-15(7-5-14)23-18(25)12-26-20-21-9-2-10-22-20/h2-11H,12H2,1H3,(H,23,25)