N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(2-ethoxyethoxy)benzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-(2-ethoxyethoxy)benzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-(2-ethoxyethoxy)benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O3S/c1-2-27-14-15-28-20-11-6-10-19(16-20)21(26)24-22(29)25(13-7-12-23)17-18-8-4-3-5-9-18/h3-6,8-11,16H,2,7,13-15,17H2,1H3,(H,24,26,29)