3-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)propanamide

Systemtic Name: 3-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)propanamide Openeye Name: 3-phenyl-N-(3-pyridylmethylcarbamothioyl)propanamide CAS Name: 3-phenyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-phenyl-N-(pyridin-3-ylmethylcarbamothioyl)propanamide Traditional Name: 3-phenyl-N-(3-pyridylmethylthiocarbamoyl)propionamide Formula: C16H17N3OS MolecularWeight: 299.39068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS/c20-15(9-8-13-5-2-1-3-6-13)19-16(21)18-12-14-7-4-10-17-11-14/h1-7,10-11H,8-9,12H2,(H2,18,19,20,21)