2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxidanylidene-pyrimidine-5-carboxamide Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxo-pyrimidine-5-carboxamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-N-(4-fluorophenyl)-1-methyl-6-oxo-5-pyrimidinecarboxamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)-1-methyl-6-oxopyrimidine-5-carboxamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-N-(4-fluorophenyl)-6-keto-1-methyl-pyrimidine-5-carboxamide Formula: C21H16FN5O3S2 MolecularWeight: 469.511843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C(=CN=C1SCC(=O)NC2=NC3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O3S2/c1-27-19(30)14(18(29)24-13-8-6-12(22)7-9-13)10-23-21(27)31-11-17(28)26-20-25-15-4-2-3-5-16(15)32-20/h2-10H,11H2,1H3,(H,24,29)(H,25,26,28)