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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(5-ethyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(5-ethyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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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=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S2/c1-2-14-18(27)24-21(25(19(14)28)13-8-4-3-5-9-13)29-12-17(26)23-20-22-15-10-6-7-11-16(15)30-20/h3-11,28H,2,12H2,1H3,(H,22,23,26)