5-bromanyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C22H26BrN3O4S/c1-4-15-5-8-17(9-6-15)29-13-20(27)25-26-22(31)24-21(28)18-11-16(23)7-10-19(18)30-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,25,27)(H2,24,26,28,31)