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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC(=C(C=C2)C)C)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-5-6-11-30-20-10-8-17(13-19(20)24)22(29)25-23(32)27-26-21(28)16(4)31-18-9-7-14(2)15(3)12-18/h7-10,12-13,16H,5-6,11H2,1-4H3,(H,26,28)(H2,25,27,29,32)