1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,7-dimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,7-dimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,7-dimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(3,7-dimethyl-2-quinolyl)thio]ethanone Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2OS/c1-15-7-8-18-12-16(2)22(23-20(18)11-15)26-14-21(25)24-10-9-17-5-3-4-6-19(17)13-24/h3-8,11-12H,9-10,13-14H2,1-2H3