5-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: 5-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: 5-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: 5-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: 5-tert-butyl-N-veratryl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29NO3S/c1-22(2,3)16-7-9-19-15(11-16)12-20(27-19)21(24)23-13-14-6-8-17(25-4)18(10-14)26-5/h6,8,10,12,16H,7,9,11,13H2,1-5H3,(H,23,24)