1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-N-benzyl-piperidine-4-carboxamide CAS Name: 1-[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-N-benzylpiperidine-4-carboxamide Traditional Name: 1-[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-N-benzyl-isonipecotamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S2/c27-22(16-29-15-21-25-19-8-4-5-9-20(19)30-21)26-12-10-18(11-13-26)23(28)24-14-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,24,28)