2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenethyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-phenethyl-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53

InChI

InChI=1S/C26H27N3O2S2/c1-18-11-14-28(15-12-18)22(30)17-32-26-27-23-20-9-5-6-10-21(20)33-24(23)25(31)29(26)16-13-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3