N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]-3-propoxy-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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