N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-3-methyl-butyramide Formula: C14H17BrClN3O3S MolecularWeight: 422.72508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Cl)Br

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C14H17BrClN3O3S/c1-8(2)5-12(20)17-14(23)19-18-13(21)7-22-11-4-3-9(16)6-10(11)15/h3-4,6,8H,5,7H2,1-2H3,(H,18,21)(H2,17,19,20,23)