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

Systemtic Name: N-[6-[2-(phenylmethylsulfanyl)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-(2-benzylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[2-(phenylmethylthio)-4-pyrimidinyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-(2-benzylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-[2-(benzylthio)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC(=NC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC(=NC=C3)SCC4=CC=CC=C4

InChI

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