5-bromanyl-N-[2-(4-chloranyl-2-methyl-phenoxy)ethylcarbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-chloranyl-2-methyl-phenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(4-chloro-2-methyl-phenoxy)ethylcarbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[2-(4-chloro-2-methylphenoxy)ethylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(4-chloro-2-methyl-phenoxy)ethylthiocarbamoyl]nicotinamide Formula: C16H15BrClN3O2S MolecularWeight: 428.7312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCNC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCNC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H15BrClN3O2S/c1-10-6-13(18)2-3-14(10)23-5-4-20-16(24)21-15(22)11-7-12(17)9-19-8-11/h2-3,6-9H,4-5H2,1H3,(H2,20,21,22,24)