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

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C26H25BrN4O4S MolecularWeight: 569.4701

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrN4O4S/c1-2-23(32)28-20-11-8-18(9-12-20)24(33)30-31-26(36)29-25(34)21-16-19(27)10-13-22(21)35-15-14-17-6-4-3-5-7-17/h3-13,16H,2,14-15H2,1H3,(H,28,32)(H,30,33)(H2,29,31,34,36)