3-bromanyl-4-(2-methylpropoxy)-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26BrN3O6S MolecularWeight: 540.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br

InChI

InChI=1S/C22H26BrN3O6S/c1-12(2)11-32-16-7-6-13(8-15(16)23)20(27)24-22(33)26-25-21(28)14-9-17(29-3)19(31-5)18(10-14)30-4/h6-10,12H,11H2,1-5H3,(H,25,28)(H2,24,26,27,33)