7-azanyl-6-(3,3-diphenylpropylamino)-3-(2-methylsulfanylethyl)-1H-quinoxalin-2-one

Systemtic Name: 7-azanyl-6-(3,3-diphenylpropylamino)-3-(2-methylsulfanylethyl)-1H-quinoxalin-2-one Openeye Name: 7-amino-6-(3,3-diphenylpropylamino)-3-(2-methylsulfanylethyl)-1H-quinoxalin-2-one CAS Name: 7-amino-6-(3,3-diphenylpropylamino)-3-[2-(methylthio)ethyl]-1H-quinoxalin-2-one IUPAC Name: 7-amino-6-(3,3-diphenylpropylamino)-3-(2-methylsulfanylethyl)-1H-quinoxalin-2-one Traditional Name: 7-amino-6-(3,3-diphenylpropylamino)-3-[2-(methylthio)ethyl]-1H-quinoxalin-2-one Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=NC2=CC(=C(C=C2NC1=O)N)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCCC1=NC2=CC(=C(C=C2NC1=O)N)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4OS/c1-32-15-13-22-26(31)30-24-16-21(27)23(17-25(24)29-22)28-14-12-20(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,20,28H,12-15,27H2,1H3,(H,30,31)