N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O7S MolecularWeight: 433.3953

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O7S/c1-10-3-2-4-14(5-10)29-9-15(23)19-20-17(30)18-16(24)11-6-12(21(25)26)8-13(7-11)22(27)28/h2-8H,9H2,1H3,(H,19,23)(H2,18,20,24,30)