5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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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=C(C=CC(=C2)Br)OC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-12(2)29-19-9-7-16(23)11-18(19)21(28)24-22(31)26-25-20(27)15(5)30-17-8-6-13(3)14(4)10-17/h6-12,15H,1-5H3,(H,25,27)(H2,24,26,28,31)