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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]-2-(2-pyridylthio)acetamide Formula: C22H19N3O2S3 MolecularWeight: 453.60016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C22H19N3O2S3/c1-27-18-7-3-2-6-15(18)13-29-22-25-17-10-9-16(12-19(17)30-22)24-20(26)14-28-21-8-4-5-11-23-21/h2-12H,13-14H2,1H3,(H,24,26)