3-nitro-N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[(4-propoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[[oxo-(4-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[(4-propoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-nitro-N-[[(4-propoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-2-10-27-15-8-6-12(7-9-15)17(24)20-21-18(28)19-16(23)13-4-3-5-14(11-13)22(25)26/h3-9,11H,2,10H2,1H3,(H,20,24)(H2,19,21,23,28)