3-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H23ClN2O2S2 MolecularWeight: 447.01322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O2S2/c1-22(2,3)17(26)12-28-21-24-19-18(15-6-4-5-7-16(15)29-19)20(27)25(21)14-10-8-13(23)9-11-14/h8-11H,4-7,12H2,1-3H3