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

Systemtic Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]benzonitrile IUPAC Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile Formula: C26H21N3OS MolecularWeight: 423.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N3OS/c27-16-18-8-1-2-10-20(18)21-11-3-4-12-22(21)26(30)29-15-7-9-19(17-29)25-28-23-13-5-6-14-24(23)31-25/h1-6,8,10-14,19H,7,9,15,17H2/t19-/m0/s1