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

Systemtic Name: 3-bromanyl-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-4-isopropoxy-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H27BrN4O4S MolecularWeight: 535.45388

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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=CC(=C(C=C2)OC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O4S/c1-13(2)11-20(29)25-17-8-5-15(6-9-17)22(31)27-28-23(33)26-21(30)16-7-10-19(18(24)12-16)32-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,25,29)(H,27,31)(H2,26,28,30,33)