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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-N-veratryl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31NO3S/c1-6-23(2,3)16-8-9-17-18(14-28-21(17)12-16)22(25)24-13-15-7-10-19(26-4)20(11-15)27-5/h7,10-11,14,16H,6,8-9,12-13H2,1-5H3,(H,24,25)