N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylphenoxy)butanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylphenoxy)butanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3-methylphenoxy)butanamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylphenoxy)butanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3-methylphenoxy)butanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(3-methylphenoxy)butyramide Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C21H24N2O2S/c1-14-5-3-6-16(11-14)25-10-4-7-20(24)23-21-18(13-22)17-9-8-15(2)12-19(17)26-21/h3,5-6,11,15H,4,7-10,12H2,1-2H3,(H,23,24)