2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S3/c24-19(13-27-14-20-22-17-5-1-2-6-18(17)28-20)21-15-7-9-16(10-8-15)29(25,26)23-11-3-4-12-23/h1-2,5-10H,3-4,11-14H2,(H,21,24)