2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]thio]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(4-benzylpiperidino)-2-keto-ethyl]thio]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C24H27N3O2S2 MolecularWeight: 453.62008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)SCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N3O2S2/c28-20(27-12-10-17(11-13-27)14-16-6-2-1-3-7-16)15-30-24-25-22(29)21-18-8-4-5-9-19(18)31-23(21)26-24/h1-3,6-7,17H,4-5,8-15H2,(H,25,26,29)