3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylsulfonylphenyl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylsulfonylphenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylsulfonylphenyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-methylsulfonylphenyl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-mesylphenyl)propionamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O3S3/c1-25(21,22)13-6-4-5-12(11-13)18-16(20)9-10-23-17-19-14-7-2-3-8-15(14)24-17/h2-8,11H,9-10H2,1H3,(H,18,20)