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

Systemtic Name: N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-4-butan-2-yloxy-benzamide Openeye Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioyl]-4-sec-butoxy-benzamide CAS Name: N-[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-butan-2-yloxybenzamide IUPAC Name: N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-butan-2-yloxybenzamide Traditional Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C20H21BrClN3O4S MolecularWeight: 514.82044

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O4S/c1-3-12(2)29-15-7-4-13(5-8-15)19(27)23-20(30)25-24-18(26)11-28-17-9-6-14(21)10-16(17)22/h4-10,12H,3,11H2,1-2H3,(H,24,26)(H2,23,25,27,30)