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

Systemtic Name: N-[[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H23BrIN3O3S MolecularWeight: 604.29909

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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)I

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)I

InChI

InChI=1S/C21H23BrIN3O3S/c1-12-5-6-13(9-16(12)23)19(28)24-20(30)26-25-18(27)11-29-17-8-7-14(10-15(17)22)21(2,3)4/h5-10H,11H2,1-4H3,(H,25,27)(H2,24,26,28,30)