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

Systemtic Name: 5-bromanyl-2-propoxy-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-propoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-2-propoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-propoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O6S MolecularWeight: 526.40076

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H24BrN3O6S/c1-5-8-31-15-7-6-13(22)11-14(15)20(27)23-21(32)25-24-19(26)12-9-16(28-2)18(30-4)17(10-12)29-3/h6-7,9-11H,5,8H2,1-4H3,(H,24,26)(H2,23,25,27,32)