N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C20H16N4OS3 MolecularWeight: 424.56224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=NC(=C1)SCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C20H16N4OS3/c25-18(13-26-19-5-1-2-9-22-19)23-15-6-7-16-17(10-15)28-20(24-16)27-12-14-4-3-8-21-11-14/h1-11H,12-13H2,(H,23,25)