5-bromanyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-2-propoxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC

InChI

InChI=1S/C23H27BrN4O4S/c1-3-5-6-20(29)25-17-10-7-15(8-11-17)21(30)27-28-23(33)26-22(31)18-14-16(24)9-12-19(18)32-13-4-2/h7-12,14H,3-6,13H2,1-2H3,(H,25,29)(H,27,30)(H2,26,28,31,33)