N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-butan-2-yloxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-butan-2-yloxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-sec-butoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-butan-2-yloxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-4-butan-2-yloxybenzamide Traditional Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-4-14(3)29-16-8-6-15(7-9-16)20(27)23-21(30)25-24-19(26)12-28-18-10-5-13(2)11-17(18)22/h5-11,14H,4,12H2,1-3H3,(H,24,26)(H2,23,25,27,30)