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

Systemtic Name: 2-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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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=C2Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H19BrN4O3S/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)