5-bromanyl-N-[(4-methoxyphenyl)methylcarbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-methoxyphenyl)methylcarbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(4-methoxyphenyl)methylcarbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(4-methoxyphenyl)methylcarbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(p-anisylthiocarbamoyl)nicotinamide Formula: C15H14BrN3O2S MolecularWeight: 380.25956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H14BrN3O2S/c1-21-13-4-2-10(3-5-13)7-18-15(22)19-14(20)11-6-12(16)9-17-8-11/h2-6,8-9H,7H2,1H3,(H2,18,19,20,22)