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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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