2-[4-(1-benzothiophen-3-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[4-(1-benzothiophen-3-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[4-(benzothiophen-3-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[[4-(1-benzothiophen-3-yl)phenyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[4-(1-benzothiophen-3-yl)phenyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[[4-(benzothiophen-3-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=CSC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CSC3=CC=CC=C32

InChI

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