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

Systemtic Name: N-[[(4-methoxyphenyl)carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[(4-methoxybenzoyl)amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[(4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[(4-methoxybenzoyl)amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[(p-anisoylamino)thiocarbamoyl]benzamide Formula: C16H14N4O5S MolecularWeight: 374.37116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O5S/c1-25-13-7-5-10(6-8-13)15(22)18-19-16(26)17-14(21)11-3-2-4-12(9-11)20(23)24/h2-9H,1H3,(H,18,22)(H2,17,19,21,26)