3-bromanyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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