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

Systemtic Name: 3-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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)C)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-11-6-8-16(9-13(11)3)27-14(4)18(25)23-24-20(28)22-19(26)15-7-5-12(2)17(21)10-15/h5-10,14H,1-4H3,(H,23,25)(H2,22,24,26,28)