N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: 2-(4-mesylphenyl)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C24H22N2O4S3 MolecularWeight: 498.63748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H22N2O4S3/c1-30-21-6-4-3-5-17(21)15-31-24-26-20-12-9-18(14-22(20)32-24)25-23(27)13-16-7-10-19(11-8-16)33(2,28)29/h3-12,14H,13,15H2,1-2H3,(H,25,27)