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

Systemtic Name: N-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[[3-(m-tolyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[[4-keto-3-(m-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H22FN3O2S2 MolecularWeight: 479.589483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FN3O2S2/c1-15-5-4-6-18(13-15)29-24(31)22-19-7-2-3-8-20(19)33-23(22)28-25(29)32-14-21(30)27-17-11-9-16(26)10-12-17/h4-6,9-13H,2-3,7-8,14H2,1H3,(H,27,30)