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

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[4-keto-3-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C27H23ClF3N3O3S2 MolecularWeight: 594.06803

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H23ClF3N3O3S2/c1-14-3-9-18-21(11-14)39-24-23(18)25(36)34(16-5-7-17(37-2)8-6-16)26(33-24)38-13-22(35)32-15-4-10-20(28)19(12-15)27(29,30)31/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,32,35)