(7E)-3-methyl-4-oxidanidyl-1-oxidanyl-N-phenyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxamide

Systemtic Name: (7E)-3-methyl-4-oxidanidyl-1-oxidanyl-N-phenyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxamide Openeye Name: (7E)-7-(allylcarbamothioylazomethylene)-1-hydroxy-3-methyl-4-oxido-N-phenyl-quinoxalin-4-ium-2-carboxamide CAS Name: (7E)-1-hydroxy-3-methyl-4-oxido-N-phenyl-7-[[(prop-2-enylamino)-sulfanylidenemethyl]azomethylidene]-2-quinoxalin-4-iumcarboxamide IUPAC Name: (7E)-1-hydroxy-3-methyl-4-oxido-N-phenyl-7-[(prop-2-enylcarbamothioyldiazenyl)methylidene]quinoxalin-4-ium-2-carboxamide Traditional Name: (7E)-7-(allylthiocarbamoylazomethylene)-1-hydroxy-3-methyl-4-oxido-N-phenyl-quinoxalin-4-ium-2-carboxamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC(=CN=NC(=S)NCC=C)C=CC2=[N+]1[O-])O)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C2=C/C(=C/N=NC(=S)NCC=C)/C=CC2=[N+]1[O-])O)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N6O3S/c1-3-11-22-21(31)25-23-13-15-9-10-17-18(12-15)27(30)19(14(2)26(17)29)20(28)24-16-7-5-4-6-8-16/h3-10,12-13,30H,1,11H2,2H3,(H,22,31)(H,24,28)/b15-13+,25-23?