2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(3-fluorophenyl)methylthio]methyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxo-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: 2-[[(3-fluorobenzyl)thio]methyl]-3-keto-N-phenethyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C25H24FN3O2S MolecularWeight: 449.540363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)NC(C(=O)N3)CSCC4=CC(=CC=C4)F

InChI

InChI=1S/C25H24FN3O2S/c26-20-8-4-7-18(13-20)15-32-16-23-25(31)29-22-14-19(9-10-21(22)28-23)24(30)27-12-11-17-5-2-1-3-6-17/h1-10,13-14,23,28H,11-12,15-16H2,(H,27,30)(H,29,31)