N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C16H21N3OS/c1-16(2,3)14(20)18-15(21)19(11-7-10-17)12-13-8-5-4-6-9-13/h4-6,8-9H,7,11-12H2,1-3H3,(H,18,20,21)