2-[4-(1-benzothiophen-7-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[4-(1-benzothiophen-7-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[4-(benzothiophen-7-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(1-benzothiophen-7-yl)phenyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[4-(1-benzothiophen-7-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(benzothiophen-7-yl)phenyl]thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C22H22N2OS2 MolecularWeight: 394.55288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=CC3=C2SC=C3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=CC3=C2SC=C3

InChI

InChI=1S/C22H22N2OS2/c1-15(2)14-20(22(25)24-12-11-23)27-18-8-6-16(7-9-18)19-5-3-4-17-10-13-26-21(17)19/h3-10,13,15,20H,12,14H2,1-2H3,(H,24,25)