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

Systemtic Name: (3S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[3-(1,3-benzothiazol-2-yl)propanoyl]-N-phenyl-nipecotamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-21(13-12-20-24-18-10-4-5-11-19(18)28-20)25-14-6-7-16(15-25)22(27)23-17-8-2-1-3-9-17/h1-5,8-11,16H,6-7,12-15H2,(H,23,27)/t16-/m0/s1