3-cyclohexyl-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-cyclohexyl-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-cyclohexyl-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-cyclohexyl-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-cyclohexyl-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-cyclohexyl-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C24H22N2O2S2 MolecularWeight: 434.57368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H22N2O2S2/c27-19(16-9-3-1-4-10-16)15-29-24-25-21-18-13-7-8-14-20(18)30-22(21)23(28)26(24)17-11-5-2-6-12-17/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2