N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[methyl(veratryl)amino]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN(C)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-14-5-7-16-17(11-23)22(29-20(16)9-14)24-21(26)13-25(2)12-15-6-8-18(27-3)19(10-15)28-4/h6,8,10,14H,5,7,9,12-13H2,1-4H3,(H,24,26)