3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]-N-(cyanomethyl)propanamide

Systemtic Name: 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]-N-(cyanomethyl)propanamide Openeye Name: 3-[4-[[3-(benzothiophen-3-yl)phenyl]methoxy]phenyl]-N-(cyanomethyl)propanamide CAS Name: 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]-N-(cyanomethyl)propanamide IUPAC Name: 3-[4-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]phenyl]-N-(cyanomethyl)propanamide Traditional Name: 3-[4-[3-(benzothiophen-3-yl)benzyl]oxyphenyl]-N-(cyanomethyl)propionamide Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)C3=CC(=CC=C3)COC4=CC=C(C=C4)CCC(=O)NCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)C3=CC(=CC=C3)COC4=CC=C(C=C4)CCC(=O)NCC#N

InChI

InChI=1S/C26H22N2O2S/c27-14-15-28-26(29)13-10-19-8-11-22(12-9-19)30-17-20-4-3-5-21(16-20)24-18-31-25-7-2-1-6-23(24)25/h1-9,11-12,16,18H,10,13,15,17H2,(H,28,29)