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

Systemtic Name: 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-ethoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-ethoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-ethoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-2-21-14-7-5-13(6-8-14)15(20)19-16(22)18-11-12-4-3-9-17-10-12/h3-10H,2,11H2,1H3,(H2,18,19,20,22)