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

Systemtic Name: N-(3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-(phenylthio)propanamide IUPAC Name: N-(3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(5-keto-3,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-yl)-3-(phenylthio)propionamide Formula: C17H18N3O2S2+ MolecularWeight: 360.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S2/c1-11-10-24-17-18-12(2)15(16(22)20(11)17)19-14(21)8-9-23-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,19,21)/p+1