3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one

Systemtic Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Openeye Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 3-[(3,4-dichlorophenyl)methylthio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanone IUPAC Name: 3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Traditional Name: 3-[(3,4-dichlorobenzyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C19H19Cl2NOS MolecularWeight: 380.33126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2NOS/c20-17-6-5-14(11-18(17)21)13-24-10-8-19(23)22-9-7-15-3-1-2-4-16(15)12-22/h1-6,11H,7-10,12-13H2