[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-bromanylpyridin-3-yl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-bromanylpyridin-3-yl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(5-bromo-3-pyridyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(5-bromo-3-pyridinyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-bromopyridin-3-yl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(5-bromo-3-pyridyl)methanone Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3OS/c19-14-8-13(9-20-10-14)18(23)22-7-3-4-12(11-22)17-21-15-5-1-2-6-16(15)24-17/h1-2,5-6,8-10,12H,3-4,7,11H2/t12-/m0/s1