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

Systemtic Name: 2-(2-phenylbutanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(2-phenylbutanoylamino)-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(1-oxo-2-phenylbutyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(2-phenylbutanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(2-phenylbutanoylamino)-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-3-8-14-11-12-17-18(13-14)27-22(19(17)20(23)25)24-21(26)16(4-2)15-9-6-5-7-10-15/h5-7,9-10,14,16H,3-4,8,11-13H2,1-2H3,(H2,23,25)(H,24,26)