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

Systemtic Name: 3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-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=CC(=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

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