3-bromanyl-4-butoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C24H29BrN4O4S MolecularWeight: 549.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

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