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

Systemtic Name: 3-(4-chlorophenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-chlorophenyl)-2-(2-oxocyclohexyl)sulfanyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-2-[(2-oxocyclohexyl)thio]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-chlorophenyl)-2-(2-oxocyclohexyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[(2-ketocyclohexyl)thio]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H21ClN2O2S2 MolecularWeight: 444.99734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(=O)C(C1)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H21ClN2O2S2/c23-13-9-11-14(12-10-13)25-21(27)19-15-5-1-3-7-17(15)28-20(19)24-22(25)29-18-8-4-2-6-16(18)26/h9-12,18H,1-8H2