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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-nitro-benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S/c1-2-5-16(25)20-13-10-8-12(9-11-13)17(26)22-23-19(30)21-18(27)14-6-3-4-7-15(14)24(28)29/h3-4,6-11H,2,5H2,1H3,(H,20,25)(H,22,26)(H2,21,23,27,30)