2-nitro-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-nitro-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-nitro-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-nitro-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H18N4O7S MolecularWeight: 434.42312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7S/c1-27-13-8-10(9-14(28-2)15(13)29-3)16(23)20-21-18(30)19-17(24)11-6-4-5-7-12(11)22(25)26/h4-9H,1-3H3,(H,20,23)(H2,19,21,24,30)