2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]acetamide CAS Name: 2-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]-N-propan-2-ylacetamide IUPAC Name: 2-[(3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[(5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]acetamide Formula: C13H18N3O2S2+ MolecularWeight: 312.43092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSCC(=O)NC(C)C

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSCC(=O)NC(C)C

InChI

InChI=1S/C13H17N3O2S2/c1-8(2)14-11(17)7-19-6-10-4-12(18)16-9(3)5-20-13(16)15-10/h4-5,8H,6-7H2,1-3H3,(H,14,17)/p+1