N-(2-methoxyethylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(2-methoxyethylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(2-methoxyethylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(2-methoxyethylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(2-methoxyethylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(2-methoxyethylthiocarbamoyl)-3-nitro-benzamide Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O4S/c1-18-6-5-12-11(19)13-10(15)8-3-2-4-9(7-8)14(16)17/h2-4,7H,5-6H2,1H3,(H2,12,13,15,19)