N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O6S/c1-2-4-16(24)19-12-5-3-6-13(9-12)20-18(30)21-17(25)11-7-14(22(26)27)10-15(8-11)23(28)29/h3,5-10H,2,4H2,1H3,(H,19,24)(H2,20,21,25,30)