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

Systemtic Name: 5-bromanyl-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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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)OC(C)C

Isomeric SMILES

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

InChI

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