2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CN2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4OS/c1-20(13-21,15-8-9-15)23-18(25)12-24-10-4-5-14(11-24)19-22-16-6-2-3-7-17(16)26-19/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,23,25)/t14-,20-/m0/s1