5-oxidanylidene-3-phenyl-N-[(1R)-1-phenylethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: 5-oxidanylidene-3-phenyl-N-[(1R)-1-phenylethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: 5-oxo-3-phenyl-N-[(1R)-1-phenylethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-3-phenyl-N-[(1R)-1-phenylethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-3-phenyl-N-[(1R)-1-phenylethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: 5-keto-3-phenyl-N-[(1R)-1-phenylethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C21H18N3O2S+ MolecularWeight: 376.45152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CNC3=[N+](C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S/c1-14(15-8-4-2-5-9-15)23-19(25)17-12-22-21-24(20(17)26)18(13-27-21)16-10-6-3-7-11-16/h2-14H,1H3,(H,23,25)/p+1/t14-/m1/s1