5-bromanyl-N-[(4-ethoxyphenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-ethoxyphenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(4-ethoxyphenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(4-ethoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(4-ethoxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(p-phenetylthiocarbamoyl)nicotinamide Formula: C15H14BrN3O2S MolecularWeight: 380.25956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H14BrN3O2S/c1-2-21-13-5-3-12(4-6-13)18-15(22)19-14(20)10-7-11(16)9-17-8-10/h3-9H,2H2,1H3,(H2,18,19,20,22)