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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allyl-5-ethyl-6-hydroxy-4-oxo-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-6-hydroxy-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(5-ethyl-6-hydroxy-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allyl-5-ethyl-6-hydroxy-4-keto-pyrimidin-2-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-3-9-22-16(25)11(4-2)15(24)21-18(22)26-10-14(23)20-17-19-12-7-5-6-8-13(12)27-17/h3,5-8,25H,1,4,9-10H2,2H3,(H,19,20,23)