3-bromanyl-4-hexoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C24H29BrN4O4S MolecularWeight: 549.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC)Br

InChI

InChI=1S/C24H29BrN4O4S/c1-3-5-6-7-14-33-20-13-10-17(15-19(20)25)22(31)27-24(34)29-28-23(32)16-8-11-18(12-9-16)26-21(30)4-2/h8-13,15H,3-7,14H2,1-2H3,(H,26,30)(H,28,32)(H2,27,29,31,34)