3-bromanyl-N-[[2-(2,4-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2,4-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[2-(2,4-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[2-(2,4-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-11-4-7-16(13(3)8-11)26-10-17(24)22-23-19(27)21-18(25)14-6-5-12(2)15(20)9-14/h4-9H,10H2,1-3H3,(H,22,24)(H2,21,23,25,27)