2-[2,4-bis(chloranyl)phenoxy]-N-[(5-bromanylpyridin-2-yl)carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(5-bromanylpyridin-2-yl)carbamothioyl]propanamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2,4-dichlorophenoxy)propanamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-2-(2,4-dichlorophenoxy)propanamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-2-(2,4-dichlorophenoxy)propionamide Formula: C15H12BrCl2N3O2S MolecularWeight: 449.14968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=NC=C(C=C1)Br)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=NC=C(C=C1)Br)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H12BrCl2N3O2S/c1-8(23-12-4-3-10(17)6-11(12)18)14(22)21-15(24)20-13-5-2-9(16)7-19-13/h2-8H,1H3,(H2,19,20,21,22,24)