N-(3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-phenyl-butanamide

Systemtic Name: N-(3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-phenyl-butanamide Openeye Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-phenyl-butanamide CAS Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-phenylbutanamide IUPAC Name: N-(3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-phenylbutanamide Traditional Name: N-(5-keto-3,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-4-phenyl-butyramide Formula: C18H20N3O2S+ MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-12-11-24-18-19-13(2)16(17(23)21(12)18)20-15(22)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,20,22)/p+1