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

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]hexanamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]hexanamide Formula: C15H20N4O5S MolecularWeight: 368.4081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O5S/c1-2-3-4-5-13(20)16-15(25)18-17-14(21)10-24-12-8-6-11(7-9-12)19(22)23/h6-9H,2-5,10H2,1H3,(H,17,21)(H2,16,18,20,25)