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

Systemtic Name: N-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C21H23BrClN3O3S MolecularWeight: 512.84762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O3S/c1-13(2)15-7-9-18(16(22)11-15)29-12-20(28)25-26-21(30)24-19(27)10-8-14-5-3-4-6-17(14)23/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,25,28)(H2,24,26,27,30)