S-[[3-(methylcarbamoyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl] 1-methylimidazole-2-carbothioate

Systemtic Name: S-[[3-(methylcarbamoyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl] 1-methylimidazole-2-carbothioate Openeye Name: S-[[3-(methylcarbamoyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl] 1-methylimidazole-2-carbothioate CAS Name: 1-methyl-2-imidazolecarbothioic acid S-[[3-(methylcarbamoyl)-1-oxido-4-oxo-2-quinoxalin-4-iumyl]methyl] ester IUPAC Name: S-[[3-(methylcarbamoyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl] 1-methylimidazole-2-carbothioate Traditional Name: 1-methylimidazole-2-carbothioic acid S-[[4-keto-3-(methylcarbamoyl)-1-oxido-quinoxalin-4-ium-2-yl]methyl] ester Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC(=O)C3=NC=CN3C

Isomeric SMILES

CNC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CSC(=O)C3=NC=CN3C

InChI

InChI=1S/C16H15N5O4S/c1-17-15(22)13-12(9-26-16(23)14-18-7-8-19(14)2)20(24)10-5-3-4-6-11(10)21(13)25/h3-8H,9H2,1-2H3,(H,17,22)