5-bromanyl-N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[[2-(2-methylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C

InChI

InChI=1S/C20H22BrN3O4S/c1-12(2)28-17-9-8-14(21)10-15(17)19(26)22-20(29)24-23-18(25)11-27-16-7-5-4-6-13(16)3/h4-10,12H,11H2,1-3H3,(H,23,25)(H2,22,24,26,29)