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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-ethoxy-benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C20H21N3O2S/c1-2-25-18-11-6-10-17(14-18)19(24)22-20(26)23(13-7-12-21)15-16-8-4-3-5-9-16/h3-6,8-11,14H,2,7,13,15H2,1H3,(H,22,24,26)