N-[(6R)-3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(6R)-6-tert-amyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-piperonylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4S/c1-4-22(2,3)13-6-7-14-17(10-13)29-21(18(14)19(23)25)24-20(26)12-5-8-15-16(9-12)28-11-27-15/h5,8-9,13H,4,6-7,10-11H2,1-3H3,(H2,23,25)(H,24,26)/t13-/m1/s1