2-[3-(3-chloranyl-4-fluoranyl-phenyl)-2,4-bis(oxidanylidene)-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-2,4-bis(oxidanylidene)-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-2,4-dioxo-benzothiopheno[3,2-d]pyrimidin-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-cyclohexylacetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[3-(3-chloro-4-fluoro-phenyl)-2,4-diketo-benzothiopheno[3,2-d]pyrimidin-1-yl]-N-cyclohexyl-acetamide Formula: C24H21ClFN3O3S MolecularWeight: 485.958243

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=C(C=C4)F)Cl)SC5=CC=CC=C53

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C3=C(C(=O)N(C2=O)C4=CC(=C(C=C4)F)Cl)SC5=CC=CC=C53

InChI

InChI=1S/C24H21ClFN3O3S/c25-17-12-15(10-11-18(17)26)29-23(31)22-21(16-8-4-5-9-19(16)33-22)28(24(29)32)13-20(30)27-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,27,30)