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

Systemtic Name: 3-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C21H24BrN3O5S MolecularWeight: 510.40136

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O5S/c1-12(2)11-30-16-7-5-13(9-15(16)22)19(26)23-21(31)25-24-20(27)14-6-8-17(28-3)18(10-14)29-4/h5-10,12H,11H2,1-4H3,(H,24,27)(H2,23,25,26,31)