5-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C23H27BrN4O4S/c1-4-11-32-19-10-7-16(24)13-18(19)22(31)26-23(33)28-27-21(30)15-5-8-17(9-6-15)25-20(29)12-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,25,29)(H,27,30)(H2,26,28,31,33)