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

Systemtic Name: N-(3,3-diphenylpropyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(3,3-diphenylpropyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(3,3-diphenylpropyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(3,3-diphenylpropyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(3,3-diphenylpropyl)-5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C22H20N3O2S+ MolecularWeight: 390.4781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c26-20(19-15-24-22-25(21(19)27)13-14-28-22)23-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18H,11-12H2,(H,23,26)/p+1