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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C

InChI

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