N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-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/c1-2-4-16(25)20-14-9-7-12(8-10-14)18(27)22-23-19(30)21-17(26)13-5-3-6-15(11-13)24(28)29/h3,5-11H,2,4H2,1H3,(H,20,25)(H,22,27)(H2,21,23,26,30)