2-(3,3-diphenylpropanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(3,3-diphenylpropanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3,3-diphenylpropanoylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-ethyl-2-[(1-oxo-3,3-diphenylpropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3,3-diphenylpropanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3,3-diphenylpropanoylamino)-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2S/c1-2-17-13-14-20-22(15-17)31-26(24(20)25(27)30)28-23(29)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,21H,2,13-16H2,1H3,(H2,27,30)(H,28,29)