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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxidanylidene-N-prop-2-enyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Openeye Name: N-allyl-2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide CAS Name: 2-[[(3-fluorophenyl)methylthio]methyl]-3-oxo-N-prop-2-enyl-2,4-dihydro-1H-quinoxaline-6-carboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanylmethyl]-3-oxo-N-prop-2-enyl-2,4-dihydro-1H-quinoxaline-6-carboxamide Traditional Name: N-allyl-2-[[(3-fluorobenzyl)thio]methyl]-3-keto-2,4-dihydro-1H-quinoxaline-6-carboxamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC2=C(C=C1)NC(C(=O)N2)CSCC3=CC(=CC=C3)F

Isomeric SMILES

C=CCNC(=O)C1=CC2=C(C=C1)NC(C(=O)N2)CSCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H20FN3O2S/c1-2-8-22-19(25)14-6-7-16-17(10-14)24-20(26)18(23-16)12-27-11-13-4-3-5-15(21)9-13/h2-7,9-10,18,23H,1,8,11-12H2,(H,22,25)(H,24,26)