N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide

Systemtic Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide Openeye Name: N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]benzamide CAS Name: N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide Traditional Name: N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]benzamide Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C17H16N4OS/c18-9-5-11-21(13-14-6-4-10-19-12-14)17(23)20-16(22)15-7-2-1-3-8-15/h1-4,6-8,10,12H,5,11,13H2,(H,20,22,23)