N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-methyl-butyramide Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O3S/c1-4-11-5-6-13(12(17)8-11)23-9-15(22)19-20-16(24)18-14(21)7-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,22)(H2,18,20,21,24)