5-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C20H21BrClN3O4S MolecularWeight: 514.82044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC(C)C)Cl

InChI

InChI=1S/C20H21BrClN3O4S/c1-11(2)29-17-7-4-13(21)9-15(17)19(27)23-20(30)25-24-18(26)10-28-14-5-6-16(22)12(3)8-14/h4-9,11H,10H2,1-3H3,(H,24,26)(H2,23,25,27,30)