N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C17H16N4O6S MolecularWeight: 404.39714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N4O6S/c1-26-13-8-7-10(9-14(13)27-2)15(22)19-20-17(28)18-16(23)11-5-3-4-6-12(11)21(24)25/h3-9H,1-2H3,(H,19,22)(H2,18,20,23,28)