N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(4-methoxyphenoxy)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(4-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(4-methoxyphenoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O8S MolecularWeight: 449.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O8S/c1-29-13-2-4-14(5-3-13)30-9-15(23)19-20-17(31)18-16(24)10-6-11(21(25)26)8-12(7-10)22(27)28/h2-8H,9H2,1H3,(H,19,23)(H2,18,20,24,31)