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

Systemtic Name: N-(4-acetamidophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(4-keto-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C28H28N4O4S2 MolecularWeight: 548.67632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C)SC5=C3CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)NC(=O)C)SC5=C3CCCC5

InChI

InChI=1S/C28H28N4O4S2/c1-3-36-21-14-12-20(13-15-21)32-27(35)25-22-6-4-5-7-23(22)38-26(25)31-28(32)37-16-24(34)30-19-10-8-18(9-11-19)29-17(2)33/h8-15H,3-7,16H2,1-2H3,(H,29,33)(H,30,34)