2-(4-nitrophenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[(3-phenylpropanoylamino)carbamothioyl]acetamide Traditional Name: N-[(hydrocinnamoylamino)thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c23-16(11-6-13-4-2-1-3-5-13)20-21-18(28)19-17(24)12-27-15-9-7-14(8-10-15)22(25)26/h1-5,7-10H,6,11-12H2,(H,20,23)(H2,19,21,24,28)