N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[[3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-oxo-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-keto-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H21ClFN3O2S2 MolecularWeight: 514.034543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)F)Cl)SC5=C3CCCC5

InChI

InChI=1S/C25H21ClFN3O2S2/c1-14-6-9-16(10-7-14)30-24(32)22-17-4-2-3-5-20(17)34-23(22)29-25(30)33-13-21(31)28-15-8-11-19(27)18(26)12-15/h6-12H,2-5,13H2,1H3,(H,28,31)