N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C20H22BrN3O6S MolecularWeight: 512.37418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)Br

InChI

InChI=1S/C20H22BrN3O6S/c1-11-7-13(5-6-14(11)21)30-10-17(25)23-24-20(31)22-19(26)12-8-15(27-2)18(29-4)16(9-12)28-3/h5-9H,10H2,1-4H3,(H,23,25)(H2,22,24,26,31)