N-tert-butyl-3-(4-methylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-tert-butyl-3-(4-methylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-tert-butyl-5-oxo-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-tert-butyl-3-(4-methylphenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-tert-butyl-3-(4-methylphenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-tert-butyl-5-keto-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)NC(C)(C)C

InChI

InChI=1S/C18H19N3O2S/c1-11-5-7-12(8-6-11)14-10-24-17-19-9-13(16(23)21(14)17)15(22)20-18(2,3)4/h5-10H,1-4H3,(H,20,22)/p+1