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

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-iodo-benzamide CAS Name: 2-iodo-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-iodo-benzamide Formula: C19H19IN4O3S MolecularWeight: 510.34863

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=CC=C2I

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I

InChI

InChI=1S/C19H19IN4O3S/c1-2-5-16(25)21-13-10-8-12(9-11-13)17(26)23-24-19(28)22-18(27)14-6-3-4-7-15(14)20/h3-4,6-11H,2,5H2,1H3,(H,21,25)(H,23,26)(H2,22,24,27,28)