2-(2-methoxyethoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-(2-methoxyethoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O6S/c1-25-8-9-26-15-5-3-2-4-12(15)16(22)19-17(27)18-13-10-11(20(23)24)6-7-14(13)21/h2-7,10,21H,8-9H2,1H3,(H2,18,19,22,27)