3-bromanyl-4-ethoxy-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-3-13-5-8-15(9-6-13)28-12-18(25)23-24-20(29)22-19(26)14-7-10-17(27-4-2)16(21)11-14/h5-11H,3-4,12H2,1-2H3,(H,23,25)(H2,22,24,26,29)