5-bromanyl-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[(3-iodanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[(3-iodo-4-methoxy-benzoyl)amino]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[(3-iodo-4-methoxy-benzoyl)amino]thiocarbamoyl]-2-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)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

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

InChI

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