2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide

Systemtic Name: 2-[2,4-bis(bromanyl)-6-methyl-phenoxy]-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide Openeye Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide CAS Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dibromo-6-methylphenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide Traditional Name: 2-(2,4-dibromo-6-methyl-phenoxy)-N-(isonicotinamidothiocarbamoyl)acetamide Formula: C16H14Br2N4O3S MolecularWeight: 502.18036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)Br)Br

InChI

InChI=1S/C16H14Br2N4O3S/c1-9-6-11(17)7-12(18)14(9)25-8-13(23)20-16(26)22-21-15(24)10-2-4-19-5-3-10/h2-7H,8H2,1H3,(H,21,24)(H2,20,22,23,26)