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

Systemtic Name: N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-4-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-2-12-3-9-15(10-4-12)27-11-16(23)20-21-18(28)19-17(24)13-5-7-14(8-6-13)22(25)26/h3-10H,2,11H2,1H3,(H,20,23)(H2,19,21,24,28)