5-bromanyl-2-butoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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