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

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]octanamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]octanamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]octanamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]caprylamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c1-2-3-4-5-6-7-15(22)18-17(27)20-19-16(23)12-26-14-10-8-13(9-11-14)21(24)25/h8-11H,2-7,12H2,1H3,(H,19,23)(H2,18,20,22,27)