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

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

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4OS/c27-22(16-8-10-18(11-9-16)26-14-4-12-23-26)25-13-3-5-17(15-25)21-24-19-6-1-2-7-20(19)28-21/h1-2,4,6-12,14,17H,3,5,13,15H2/t17-/m0/s1