[1-(isoquinolin-5-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-(isoquinolin-5-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-(5-isoquinolylmethyl)-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-(5-isoquinolinylmethyl)-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-(isoquinolin-5-ylmethyl)piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-(5-isoquinolylmethyl)-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2CCCN(C2)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H24N2OS/c1-27-21-9-7-17(8-10-21)23(26)20-6-3-13-25(16-20)15-19-5-2-4-18-14-24-12-11-22(18)19/h2,4-5,7-12,14,20H,3,6,13,15-16H2,1H3