2-(3-phenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(3-phenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-phenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(1-oxo-3-phenylpropyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-phenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(hydrocinnamoylamino)-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-2-6-15-9-11-16-17(13-15)26-21(19(16)20(22)25)23-18(24)12-10-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3,(H2,22,25)(H,23,24)