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

Systemtic Name: N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[(4-nitrobenzoyl)amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-2-3-6-13-29-17-8-5-4-7-16(17)19(26)21-20(30)23-22-18(25)14-9-11-15(12-10-14)24(27)28/h4-5,7-12H,2-3,6,13H2,1H3,(H,22,25)(H2,21,23,26,30)