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

Systemtic Name: 3-bromanyl-N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC(=C2C)C)Br

InChI

InChI=1S/C24H30BrN3O4S/c1-4-5-6-7-13-31-21-12-11-18(14-19(21)25)23(30)26-24(33)28-27-22(29)15-32-20-10-8-9-16(2)17(20)3/h8-12,14H,4-7,13,15H2,1-3H3,(H,27,29)(H2,26,28,30,33)