2-nitro-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[[(4-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-allyloxybenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[[[oxo-(4-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[[(4-prop-2-enoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-allyloxybenzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-2-11-27-13-9-7-12(8-10-13)16(23)20-21-18(28)19-17(24)14-5-3-4-6-15(14)22(25)26/h2-10H,1,11H2,(H,20,23)(H2,19,21,24,28)