3-bromanyl-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C21H23Br2N3O3S MolecularWeight: 557.29862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C(C)(C)C)Br)Br

InChI

InChI=1S/C21H23Br2N3O3S/c1-12-5-6-13(9-15(12)22)19(28)24-20(30)26-25-18(27)11-29-17-8-7-14(10-16(17)23)21(2,3)4/h5-10H,11H2,1-4H3,(H,25,27)(H2,24,26,28,30)