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

Systemtic Name: N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C21H17N3OS3 MolecularWeight: 423.57418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C21H17N3OS3/c25-19(14-26-20-8-4-5-11-22-20)23-16-9-10-17-18(12-16)28-21(24-17)27-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25)