N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenoxy-benzamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenoxy-benzamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-phenoxy-benzamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenoxybenzamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenoxybenzamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-phenoxy-benzamide Formula: C28H22N2O2S MolecularWeight: 450.55148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N2O2S/c29-18-25-24-15-14-20(19-8-3-1-4-9-19)17-26(24)33-28(25)30-27(31)21-10-7-13-23(16-21)32-22-11-5-2-6-12-22/h1-13,16,20H,14-15,17H2,(H,30,31)