N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(1-methyl-2-oxo-4-quinolinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-[(2-keto-1-methyl-4-quinolyl)thio]acetamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H25N3O2S/c1-25-20-9-5-4-8-19(20)21(14-23(25)28)29-16-22(27)24-11-13-26-12-10-17-6-2-3-7-18(17)15-26/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)