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

Systemtic Name: 3-bromanyl-N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-isopropoxy-benzamide CAS Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-12(2)29-18-9-8-15(10-16(18)22)20(27)23-21(30)25-24-19(26)11-28-17-7-5-6-13(3)14(17)4/h5-10,12H,11H2,1-4H3,(H,24,26)(H2,23,25,27,30)