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

Systemtic Name: N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(1-naphthylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-(1-naphthalenylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-(naphthalen-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(1-naphthylmethylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C25H19N3OS3 MolecularWeight: 473.63286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CSC5=CC=CC=N5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)CSC5=CC=CC=N5

InChI

InChI=1S/C25H19N3OS3/c29-23(16-30-24-10-3-4-13-26-24)27-19-11-12-21-22(14-19)32-25(28-21)31-15-18-8-5-7-17-6-1-2-9-20(17)18/h1-14H,15-16H2,(H,27,29)