5-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-2-methoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O4S/c1-3-4-17(26)22-14-8-5-12(6-9-14)18(27)24-25-20(30)23-19(28)15-11-13(21)7-10-16(15)29-2/h5-11H,3-4H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,30)