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

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

CC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC5=CC=CC=C53

InChI

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