N-[4-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[4-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-[[2-(4-bromophenoxy)acetyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[4-[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H20BrN3O3S/c1-12(2)18(25)21-14-5-7-15(8-6-14)22-19(27)23-17(24)11-26-16-9-3-13(20)4-10-16/h3-10,12H,11H2,1-2H3,(H,21,25)(H2,22,23,24,27)