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

Systemtic Name: N-(3-cyanophenyl)-2-[[3-(2-methoxyphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3-cyanophenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[[3-(2-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[[4-keto-3-(2-methoxyphenyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C26H22N4O3S2 MolecularWeight: 502.60788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC(=C4)C#N)SC5=C3CCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=CC(=C4)C#N)SC5=C3CCCC5

InChI

InChI=1S/C26H22N4O3S2/c1-33-20-11-4-3-10-19(20)30-25(32)23-18-9-2-5-12-21(18)35-24(23)29-26(30)34-15-22(31)28-17-8-6-7-16(13-17)14-27/h3-4,6-8,10-11,13H,2,5,9,12,15H2,1H3,(H,28,31)