[1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [1-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [1-(2-chloro-5-methylsulfanyl-benzoyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [1-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-4-piperidinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [1-(2-chloro-5-methylsulfanylbenzoyl)piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [1-[2-chloro-5-(methylthio)benzoyl]-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C23H25ClN2O2S MolecularWeight: 428.9748

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25ClN2O2S/c1-29-19-6-7-21(24)20(14-19)23(28)25-11-9-17(10-12-25)22(27)26-13-8-16-4-2-3-5-18(16)15-26/h2-7,14,17H,8-13,15H2,1H3