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

Systemtic Name: 5-bromanyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4S/c1-3-11-30-17-10-7-14(22)12-16(17)20(29)24-21(31)26-25-19(28)13-5-8-15(9-6-13)23-18(27)4-2/h5-10,12H,3-4,11H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)