3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C21H23BrN4O4S/c1-3-5-18(27)23-15-9-6-13(7-10-15)20(29)25-26-21(31)24-19(28)14-8-11-17(30-4-2)16(22)12-14/h6-12H,3-5H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,31)