N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]propanamide

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]propanamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]propanamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C12H14N4O5S MolecularWeight: 326.32836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5S/c1-2-10(17)13-12(22)15-14-11(18)7-21-9-5-3-8(4-6-9)16(19)20/h3-6H,2,7H2,1H3,(H,14,18)(H2,13,15,17,22)