N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-26-14-7-5-11(6-8-14)9-15(22)19-20-17(27)18-16(23)12-3-2-4-13(10-12)21(24)25/h2-8,10H,9H2,1H3,(H,19,22)(H2,18,20,23,27)