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

Systemtic Name: N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O7S MolecularWeight: 433.3953

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

Isomeric SMILES

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

InChI

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