3-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN4O4S/c1-12(2)19(28)24-16-8-5-14(6-9-16)21(30)26-27-22(32)25-20(29)15-7-10-18(17(23)11-15)31-13(3)4/h5-13H,1-4H3,(H,24,28)(H,26,30)(H2,25,27,29,32)