2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-isopentyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2,4-dichlorophenyl)methylthio]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,4-dichlorophenyl)methylsulfanyl]-3-(3-methylbutyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2,4-dichlorobenzyl)thio]-3-isoamyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H24Cl2N2OS2 MolecularWeight: 467.47476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)SC4=C2CCCC4

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC3=C(C=C(C=C3)Cl)Cl)SC4=C2CCCC4

InChI

InChI=1S/C22H24Cl2N2OS2/c1-13(2)9-10-26-21(27)19-16-5-3-4-6-18(16)29-20(19)25-22(26)28-12-14-7-8-15(23)11-17(14)24/h7-8,11,13H,3-6,9-10,12H2,1-2H3