[1-(6-bromanylquinolin-4-yl)piperidin-4-yl]-(3-methylsulfanylphenyl)methanone

Systemtic Name: [1-(6-bromanylquinolin-4-yl)piperidin-4-yl]-(3-methylsulfanylphenyl)methanone Openeye Name: [1-(6-bromo-4-quinolyl)-4-piperidyl]-(3-methylsulfanylphenyl)methanone CAS Name: [1-(6-bromo-4-quinolinyl)-4-piperidinyl]-[3-(methylthio)phenyl]methanone IUPAC Name: [1-(6-bromoquinolin-4-yl)piperidin-4-yl]-(3-methylsulfanylphenyl)methanone Traditional Name: [1-(6-bromo-4-quinolyl)-4-piperidyl]-[3-(methylthio)phenyl]methanone Formula: C22H21BrN2OS MolecularWeight: 441.38394

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(=O)C2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)Br

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)C2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)Br

InChI

InChI=1S/C22H21BrN2OS/c1-27-18-4-2-3-16(13-18)22(26)15-8-11-25(12-9-15)21-7-10-24-20-6-5-17(23)14-19(20)21/h2-7,10,13-15H,8-9,11-12H2,1H3