1-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-[2-(pyrrolidin-1-ylmethyl)-2-thiochroman-6-yl-1-piperidyl]ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-thiochromen-6-yl)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 1-[2-(pyrrolidinomethyl)-2-thiochroman-6-yl-piperidino]ethanone Formula: C21H30N2OS MolecularWeight: 358.5407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCCC1(CN2CCCC2)C3=CC4=C(C=C3)SCCC4

Isomeric SMILES

CC(=O)N1CCCCC1(CN2CCCC2)C3=CC4=C(C=C3)SCCC4

InChI

InChI=1S/C21H30N2OS/c1-17(24)23-13-3-2-10-21(23,16-22-11-4-5-12-22)19-8-9-20-18(15-19)7-6-14-25-20/h8-9,15H,2-7,10-14,16H2,1H3