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

Systemtic Name: 3-chloranyl-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]benzamide Formula: C17H15ClN4OS MolecularWeight: 358.8452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4OS/c18-15-6-1-5-14(10-15)16(23)21-17(24)22(9-3-7-19)12-13-4-2-8-20-11-13/h1-2,4-6,8,10-11H,3,9,12H2,(H,21,23,24)