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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C21H23BrIN3O4S MolecularWeight: 620.29849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrIN3O4S/c1-21(2,3)13-6-8-16(14(22)10-13)30-11-18(27)25-26-20(31)24-19(28)12-5-7-17(29-4)15(23)9-12/h5-10H,11H2,1-4H3,(H,25,27)(H2,24,26,28,31)