3-[(4-chlorophenyl)methylsulfanylmethyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[[(4-chlorophenyl)methylthio]methyl]-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(4-chlorophenyl)methylsulfanylmethyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[[(4-chlorobenzyl)thio]methyl]-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C26H24ClN3O2S MolecularWeight: 478.00566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CSCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24ClN3O2S/c27-21-8-5-17(6-9-21)15-33-16-24-25(31)29-23-13-19(7-10-22(23)28-24)26(32)30-12-11-18-3-1-2-4-20(18)14-30/h1-10,13,24,28H,11-12,14-16H2,(H,29,31)