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

Systemtic Name: 3-bromanyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC)Br

Isomeric SMILES

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

InChI

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