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

Systemtic Name: N-(2-chlorophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(2-chlorophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[(4-keto-3-p-phenetyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C26H24ClN3O3S2 MolecularWeight: 526.07006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC=C4Cl)SC5=C3CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC=C4Cl)SC5=C3CCCC5

InChI

InChI=1S/C26H24ClN3O3S2/c1-2-33-17-13-11-16(12-14-17)30-25(32)23-18-7-3-6-10-21(18)35-24(23)29-26(30)34-15-22(31)28-20-9-5-4-8-19(20)27/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,28,31)