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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[methyl(veratryl)amino]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C21H25N3O3S/c1-24(12-14-8-9-17(26-2)18(10-14)27-3)13-20(25)23-21-16(11-22)15-6-4-5-7-19(15)28-21/h8-10H,4-7,12-13H2,1-3H3,(H,23,25)