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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-keto-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C26H21ClF3N3O3S2 MolecularWeight: 580.04145

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)SC5=C3CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)SC5=C3CCCC5

InChI

InChI=1S/C26H21ClF3N3O3S2/c1-36-16-9-7-15(8-10-16)33-24(35)22-17-4-2-3-5-20(17)38-23(22)32-25(33)37-13-21(34)31-19-12-14(26(28,29)30)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)