N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]-4-propoxy-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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