N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoyl]-3-methyl-butyramide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrN3O3S/c1-9(2)7-12(19)16-14(22)18-17-13(20)8-21-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H2,16,18,19,22)