3-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C23H27BrClN3O4S MolecularWeight: 556.90018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C)Br

InChI

InChI=1S/C23H27BrClN3O4S/c1-3-4-5-6-11-31-20-10-7-16(13-18(20)24)22(30)26-23(33)28-27-21(29)14-32-17-8-9-19(25)15(2)12-17/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,27,29)(H2,26,28,30,33)