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

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-(isonicotinamidothiocarbamoyl)acetamide Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H15BrN4O3S/c1-10-8-12(17)2-3-13(10)24-9-14(22)19-16(25)21-20-15(23)11-4-6-18-7-5-11/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,22,25)