N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)NC(=S)N(CCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC=C2C(=O)NC(=S)N(CCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O2S/c27-17-9-18-29(20-22-12-5-2-6-13-22)26(32)28-25(30)23-14-7-8-15-24(23)31-19-16-21-10-3-1-4-11-21/h1-8,10-15H,9,16,18-20H2,(H,28,30,32)