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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-pyrrolidinosulfonylphenyl)propionamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

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