2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(m-tolyl)-2-(piperonylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C25H22N2O3S2 MolecularWeight: 462.58378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCCC6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCCC6

InChI

InChI=1S/C25H22N2O3S2/c1-15-5-4-6-17(11-15)27-24(28)22-18-7-2-3-8-21(18)32-23(22)26-25(27)31-13-16-9-10-19-20(12-16)30-14-29-19/h4-6,9-12H,2-3,7-8,13-14H2,1H3