3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[4-(2-ketopyrrolidino)benzyl]propionamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S2/c25-19(11-13-27-21-23-17-4-1-2-5-18(17)28-21)22-14-15-7-9-16(10-8-15)24-12-3-6-20(24)26/h1-2,4-5,7-10H,3,6,11-14H2,(H,22,25)