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

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-2-3-4-5-14-29-18-10-6-16(7-11-18)21(28)24-22(31)26-25-20(27)15-30-19-12-8-17(23)9-13-19/h6-13H,2-5,14-15H2,1H3,(H,25,27)(H2,24,26,28,31)