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

Systemtic Name: N-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H23BrClN3O4S MolecularWeight: 528.84702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C21H23BrClN3O4S/c1-2-3-4-11-29-16-8-5-14(6-9-16)20(28)24-21(31)26-25-19(27)13-30-18-10-7-15(22)12-17(18)23/h5-10,12H,2-4,11,13H2,1H3,(H,25,27)(H2,24,26,28,31)