N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4S/c1-2-3-4-5-6-15-30-19-11-7-17(8-12-19)22(29)25-23(32)27-26-21(28)16-31-20-13-9-18(24)10-14-20/h7-14H,2-6,15-16H2,1H3,(H,26,28)(H2,25,27,29,32)