2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-methoxyphenyl)sulfanyl-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-N-(4-mesyl-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)thio]acetamide Formula: C24H22N2O4S3 MolecularWeight: 498.63748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4S(=O)(=O)C

InChI

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