5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C23H27BrN4O5S MolecularWeight: 551.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O5S/c1-14(2)12-20(29)25-17-7-4-15(5-8-17)21(30)27-28-23(34)26-22(31)18-13-16(24)6-9-19(18)33-11-10-32-3/h4-9,13-14H,10-12H2,1-3H3,(H,25,29)(H,27,30)(H2,26,28,31,34)