3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)C

InChI

InChI=1S/C24H30BrN3O4S/c1-14(2)10-11-31-21-9-7-18(13-20(21)25)23(30)26-24(33)28-27-22(29)17(5)32-19-8-6-15(3)16(4)12-19/h6-9,12-14,17H,10-11H2,1-5H3,(H,27,29)(H2,26,28,30,33)