3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzonitrile Formula: C20H17N3OS MolecularWeight: 347.43348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CC(=C2)C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3OS/c21-12-14-5-3-6-15(11-14)20(24)23-10-4-7-16(13-23)19-22-17-8-1-2-9-18(17)25-19/h1-3,5-6,8-9,11,16H,4,7,10,13H2/t16-/m0/s1