5-bromanyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C21H23BrN4O4S/c1-4-18(27)23-15-8-5-13(6-9-15)19(28)25-26-21(31)24-20(29)16-11-14(22)7-10-17(16)30-12(2)3/h5-12H,4H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,31)