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

Systemtic Name: N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-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/c1-26-13-7-6-11(9-14(13)27-2)16(23)19-20-17(28)18-15(22)10-4-3-5-12(8-10)21(24)25/h3-9H,1-2H3,(H,19,23)(H2,18,20,22,28)