3-bromanyl-4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-ethoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-ethoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-ethoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-2-22-14-6-5-12(8-13(14)17)15(21)20-16(23)19-10-11-4-3-7-18-9-11/h3-9H,2,10H2,1H3,(H2,19,20,21,23)