N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-benzylsulfanyl-acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylmethylthio)acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-benzylsulfanylacetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(benzylthio)acetamide Formula: C24H23NO2S2 MolecularWeight: 421.57492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H23NO2S2/c26-21(16-28-15-17-9-3-1-4-10-17)25-24-22(19-13-7-8-14-20(19)29-24)23(27)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,25,26)