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

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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