N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-homoveratryl-N,5-dimethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27NO3S/c1-14-5-8-19-16(11-14)13-20(26-19)21(23)22(2)10-9-15-6-7-17(24-3)18(12-15)25-4/h6-7,12-14H,5,8-11H2,1-4H3