(2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonyl)piperidin-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonyl)piperidin-3-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-3-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[1-[oxo(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methyl]-3-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[1-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)piperidin-3-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[1-(4,5,6,7-tetrahydroisobenzothiophene-1-carbonyl)-3-piperidyl]methanone Formula: C22H25NO2S2 MolecularWeight: 399.5694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=C4CCCCC4=CS3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)C2CCCN(C2)C(=O)C3=C4CCCCC4=CS3

InChI

InChI=1S/C22H25NO2S2/c1-26-19-11-5-4-10-18(19)20(24)15-8-6-12-23(13-15)22(25)21-17-9-3-2-7-16(17)14-27-21/h4-5,10-11,14-15H,2-3,6-9,12-13H2,1H3