N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonyl-benzamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C23H20N2O4S3 MolecularWeight: 484.6109

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C23H20N2O4S3/c1-29-19-9-5-3-7-15(19)14-30-23-25-18-12-11-16(13-20(18)31-23)24-22(26)17-8-4-6-10-21(17)32(2,27)28/h3-13H,14H2,1-2H3,(H,24,26)