2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(3-pyridylmethyl)-3-piperidyl]methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[1-(3-pyridinylmethyl)-3-piperidinyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[1-(3-pyridylmethyl)-3-piperidyl]methyl]acetamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CN=CC=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(CN(C1)CC2=CN=CC=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS2/c26-20(15-27-21-24-18-7-1-2-8-19(18)28-21)23-12-17-6-4-10-25(14-17)13-16-5-3-9-22-11-16/h1-3,5,7-9,11,17H,4,6,10,12-15H2,(H,23,26)