1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[3-(1,3-benzothiazol-2-ylthio)propanoyl]-N-phenyl-nipecotamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCSC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)CCSC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4

InChI

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