N-(1,3-benzothiazol-2-yl)-2-[5-ethyl-1-(2-methylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[5-ethyl-1-(2-methylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[5-ethyl-6-hydroxy-1-(o-tolyl)-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-ethyl-6-hydroxy-1-(2-methylphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[5-ethyl-6-hydroxy-1-(2-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[5-ethyl-6-hydroxy-4-keto-1-(o-tolyl)pyrimidin-2-yl]thio]acetamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4C)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4C)O

InChI

InChI=1S/C22H20N4O3S2/c1-3-14-19(28)25-22(26(20(14)29)16-10-6-4-8-13(16)2)30-12-18(27)24-21-23-15-9-5-7-11-17(15)31-21/h4-11,29H,3,12H2,1-2H3,(H,23,24,27)