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

Systemtic Name: 3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C22H26BrN3O5S MolecularWeight: 524.42794

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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)OCCOC)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O5S/c1-13-5-7-17(11-14(13)2)31-15(3)20(27)25-26-22(32)24-21(28)16-6-8-19(18(23)12-16)30-10-9-29-4/h5-8,11-12,15H,9-10H2,1-4H3,(H,25,27)(H2,24,26,28,32)