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

Systemtic Name: 3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-4-butoxy-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CCC)Br

InChI

InChI=1S/C23H27BrN4O4S/c1-3-5-13-32-19-12-9-16(14-18(19)24)21(30)26-23(33)28-27-22(31)15-7-10-17(11-8-15)25-20(29)6-4-2/h7-12,14H,3-6,13H2,1-2H3,(H,25,29)(H,27,31)(H2,26,28,30,33)