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

Systemtic Name: 3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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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(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O4S/c1-4-5-20(29)25-17-9-6-15(7-10-17)22(31)27-28-23(33)26-21(30)16-8-11-19(18(24)12-16)32-13-14(2)3/h6-12,14H,4-5,13H2,1-3H3,(H,25,29)(H,27,31)(H2,26,28,30,33)