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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-25(14-15-8-9-18(27-2)19(12-15)28-3)11-10-21(26)24-22-17(13-23)16-6-4-5-7-20(16)29-22/h8-9,12H,4-7,10-11,14H2,1-3H3,(H,24,26)