N-[(4-chlorophenyl)carbamothioyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)carbamothioyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[(4-chlorophenyl)carbamothioyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[(4-chloroanilino)-sulfanylidenemethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[(4-chlorophenyl)carbamothioyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[(4-chlorophenyl)thiocarbamoyl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C14H9ClN4O3S MolecularWeight: 348.76426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-])Cl

InChI

InChI=1S/C14H9ClN4O3S/c15-9-2-4-10(5-3-9)16-14(23)17-13(20)8-1-6-12-11(7-8)18-22-19(12)21/h1-7H,(H2,16,17,20,23)