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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Cl)Br

InChI

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