N-[[(4-butoxyphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[(4-butoxyphenyl)carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[(4-butoxybenzoyl)amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[(4-butoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(4-butoxybenzoyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-butoxybenzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-2-3-12-28-14-10-8-13(9-11-14)17(24)21-22-19(29)20-18(25)15-6-4-5-7-16(15)23(26)27/h4-11H,2-3,12H2,1H3,(H,21,24)(H2,20,22,25,29)