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

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[(2-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/c1-2-3-6-13-29-15-11-9-14(10-12-15)18(25)21-20(30)23-22-19(26)16-7-4-5-8-17(16)24(27)28/h4-5,7-12H,2-3,6,13H2,1H3,(H,22,26)(H2,21,23,25,30)