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

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(3,4-dimethylphenyl)-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H33N3O2S2 MolecularWeight: 495.69982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC(=C(C=C5)C)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC(=C(C=C5)C)C)C

InChI

InChI=1S/C27H33N3O2S2/c1-16-12-13-20(14-17(16)2)30-26(32)24-21-10-5-6-11-22(21)34-25(24)28-27(30)33-15-23(31)29-18(3)8-7-9-19(29)4/h12-14,18-19H,5-11,15H2,1-4H3