N3-(3-methylphenyl)-5-oxidanylidene-N2-phenyl-7-propyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-2,3-dicarboxamide

Systemtic Name: N3-(3-methylphenyl)-5-oxidanylidene-N2-phenyl-7-propyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-2,3-dicarboxamide Openeye Name: N3-(m-tolyl)-5-oxo-N2-phenyl-7-propyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-2,3-dicarboxamide CAS Name: N3-(3-methylphenyl)-5-oxo-N2-phenyl-7-propyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-2,3-dicarboxamide IUPAC Name: 3-N-(3-methylphenyl)-5-oxo-2-N-phenyl-7-propyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-2,3-dicarboxamide Traditional Name: 5-keto-N'-(m-tolyl)-N-phenyl-7-propyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-2,3-dicarboxamide Formula: C24H23N4O3S+ MolecularWeight: 447.52942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)[N+]2=C(N1)SC(=C2C(=O)NC3=CC=CC(=C3)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=O)[N+]2=C(N1)SC(=C2C(=O)NC3=CC=CC(=C3)C)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-3-8-17-14-19(29)28-20(22(30)26-18-12-7-9-15(2)13-18)21(32-24(28)27-17)23(31)25-16-10-5-4-6-11-16/h4-7,9-14H,3,8H2,1-2H3,(H2,25,26,30,31)/p+1