N-[(2-cyanophenyl)carbamothioyl]octanamide

Systemtic Name: N-[(2-cyanophenyl)carbamothioyl]octanamide Openeye Name: N-[(2-cyanophenyl)carbamothioyl]octanamide CAS Name: N-[(2-cyanoanilino)-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-cyanophenyl)carbamothioyl]octanamide Traditional Name: N-[(2-cyanophenyl)thiocarbamoyl]caprylamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C#N

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC=C1C#N

InChI

InChI=1S/C16H21N3OS/c1-2-3-4-5-6-11-15(20)19-16(21)18-14-10-8-7-9-13(14)12-17/h7-10H,2-6,11H2,1H3,(H2,18,19,20,21)