N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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