5-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C24H29BrN4O4S MolecularWeight: 549.48046

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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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrN4O4S/c1-4-5-21(30)26-18-9-6-16(7-10-18)22(31)28-29-24(34)27-23(32)19-14-17(25)8-11-20(19)33-13-12-15(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,26,30)(H,28,31)(H2,27,29,32,34)