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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H22BrN3O6S MolecularWeight: 512.37418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O6S/c1-5-30-14-7-6-12(21)10-13(14)19(26)22-20(31)24-23-18(25)11-8-15(27-2)17(29-4)16(9-11)28-3/h6-10H,5H2,1-4H3,(H,23,25)(H2,22,24,26,31)