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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-pyrrolidin-1-yl-4-pyridyl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[[2-(1-pyrrolidinyl)-4-pyridinyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-pyrrolidin-1-ylpyridin-4-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2-pyrrolidino-4-pyridyl)methyl]propionamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS2/c25-19(8-12-26-20-23-16-5-1-2-6-17(16)27-20)22-14-15-7-9-21-18(13-15)24-10-3-4-11-24/h1-2,5-7,9,13H,3-4,8,10-12,14H2,(H,22,25)