N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)Br

InChI

InChI=1S/C20H21BrClN3O3S/c1-2-13-7-9-17(15(21)11-13)28-12-19(27)24-25-20(29)23-18(26)10-8-14-5-3-4-6-16(14)22/h3-7,9,11H,2,8,10,12H2,1H3,(H,24,27)(H2,23,25,26,29)