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

Systemtic Name: 3-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-4-methyl-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-4-methyl-benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O3S/c1-3-4-17(26)22-15-9-7-13(8-10-15)19(28)24-25-20(29)23-18(27)14-6-5-12(2)16(21)11-14/h5-11H,3-4H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,29)