3-bromanyl-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H23BrIN3O4S MolecularWeight: 620.29849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I)Br

InChI

InChI=1S/C21H23BrIN3O4S/c1-12(2)8-9-30-17-6-4-13(10-15(17)22)19(27)24-21(31)26-25-20(28)14-5-7-18(29-3)16(23)11-14/h4-7,10-12H,8-9H2,1-3H3,(H,25,28)(H2,24,26,27,31)