N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]propanamide

Systemtic Name: N-[[2-(4-bromanyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]propanamide Openeye Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]carbamothioyl]propanamide CAS Name: N-[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[[2-(4-bromo-2-methylphenoxy)acetyl]amino]carbamothioyl]propanamide Traditional Name: N-[[[2-(4-bromo-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]propionamide Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3S/c1-3-11(18)15-13(21)17-16-12(19)7-20-10-5-4-9(14)6-8(10)2/h4-6H,3,7H2,1-2H3,(H,16,19)(H2,15,17,18,21)