2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-[3-(piperidinomethyl)phenoxy]propyl]acetamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N3O2S2/c29-24(18-31-19-25-27-22-10-2-3-11-23(22)32-25)26-12-7-15-30-21-9-6-8-20(16-21)17-28-13-4-1-5-14-28/h2-3,6,8-11,16H,1,4-5,7,12-15,17-19H2,(H,26,29)