1-(phenylcarbonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylcarbonyl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Openeye Name: 1-benzoyl-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide CAS Name: 1-benzoyl-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-benzoyl-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Traditional Name: 1-benzoyl-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]isonipecotamide Formula: C26H24N4O2S2 MolecularWeight: 488.62436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2S2/c31-24(19-10-13-30(14-11-19)25(32)20-6-2-1-3-7-20)28-21-8-9-22-23(15-21)34-26(29-22)33-17-18-5-4-12-27-16-18/h1-9,12,15-16,19H,10-11,13-14,17H2,(H,28,31)