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

Systemtic Name: 3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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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)OCC(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)OCC(C)C)Br)C

InChI

InChI=1S/C23H28BrN3O4S/c1-13(2)12-30-20-9-7-17(11-19(20)24)22(29)25-23(32)27-26-21(28)16(5)31-18-8-6-14(3)15(4)10-18/h6-11,13,16H,12H2,1-5H3,(H,26,28)(H2,25,27,29,32)