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

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-2-3-4-12-29-17-10-8-14(9-11-17)18(25)21-20(30)23-22-19(26)15-6-5-7-16(13-15)24(27)28/h5-11,13H,2-4,12H2,1H3,(H,22,26)(H2,21,23,25,30)