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

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-N-phenyl-isonipecotamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S2/c26-21(15-28-14-20-24-18-8-4-5-9-19(18)29-20)25-12-10-16(11-13-25)22(27)23-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,27)