2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[2-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3OS2/c26-21(15-27-16-22-24-19-9-3-4-10-20(19)28-22)23-13-17-7-1-2-8-18(17)14-25-11-5-6-12-25/h1-4,7-10H,5-6,11-16H2,(H,23,26)