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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

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