[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [(2S)-2-(1,3-benzothiazol-2-yl)piperidino]-(4-pyrazol-1-ylphenyl)methanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C22H20N4OS/c27-22(16-9-11-17(12-10-16)26-15-5-13-23-26)25-14-4-3-7-19(25)21-24-18-6-1-2-8-20(18)28-21/h1-2,5-6,8-13,15,19H,3-4,7,14H2/t19-/m0/s1