N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-2-methyl-benzamide

Systemtic Name: N-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioyl]-2-methyl-benzamide Openeye Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioyl]-2-methyl-benzamide CAS Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]-2-methylbenzamide Traditional Name: N-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-2-methyl-benzamide Formula: C18H17Br2N3O3S MolecularWeight: 515.21888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2C)Br)Br

InChI

InChI=1S/C18H17Br2N3O3S/c1-10-5-3-4-6-13(10)17(25)21-18(27)23-22-15(24)9-26-16-11(2)7-12(19)8-14(16)20/h3-8H,9H2,1-2H3,(H,22,24)(H2,21,23,25,27)