2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylsulfonylphenyl)benzamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylsulfonylphenyl)benzamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylsulfonylphenyl)benzamide CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(3-methylsulfonylphenyl)benzamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(3-methylsulfonylphenyl)benzamide Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(3-mesylphenyl)benzamide Formula: C22H18N2O3S3 MolecularWeight: 454.58492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S3/c1-30(26,27)17-9-6-8-16(13-17)23-21(25)18-10-3-2-7-15(18)14-28-22-24-19-11-4-5-12-20(19)29-22/h2-13H,14H2,1H3,(H,23,25)