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

Systemtic Name: N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-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(=C2)C(=O)NC(=S)N(CCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C(=O)NC(=S)N(CCC#N)CC3=CC=CC=C3

InChI

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