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

Systemtic Name: 3-bromanyl-N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C20H22BrN3O6S MolecularWeight: 512.37418

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC)Br

InChI

InChI=1S/C20H22BrN3O6S/c1-27-8-9-30-15-6-4-12(10-14(15)21)18(25)22-20(31)24-23-19(26)13-5-7-16(28-2)17(11-13)29-3/h4-7,10-11H,8-9H2,1-3H3,(H,23,26)(H2,22,24,25,31)