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

Systemtic Name: 2-(3,3-diphenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3,3-diphenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(1-oxo-3,3-diphenylpropyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3,3-diphenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3,3-diphenylpropanoylamino)-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S/c1-2-9-18-14-15-21-23(16-18)32-27(25(21)26(28)31)29-24(30)17-22(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-13,18,22H,2,9,14-17H2,1H3,(H2,28,31)(H,29,30)