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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O5S/c1-2-3-16(26)21-13-7-4-11(5-8-13)18(28)23-24-19(31)22-17(27)12-6-9-14(20)15(10-12)25(29)30/h4-10H,2-3H2,1H3,(H,21,26)(H,23,28)(H2,22,24,27,31)