3-bromanyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C22H25BrClN3O3S MolecularWeight: 526.8742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C22H25BrClN3O3S/c1-2-3-4-5-12-30-19-11-8-16(14-18(19)23)21(29)25-22(31)27-26-20(28)13-15-6-9-17(24)10-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,26,28)(H2,25,27,29,31)