N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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