2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S3/c23-18(13-26-19-21-16-8-1-2-9-17(16)27-19)20-14-6-5-7-15(12-14)28(24,25)22-10-3-4-11-22/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,23)