4-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)butanamide Openeye Name: N-(5-isopropyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: 4-[(4-methylphenyl)thio]-N-(5-propan-2-yl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)butanamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-N-(5-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)butanamide Traditional Name: N-(5-isopropyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-ium-2-yl)-4-(p-tolylthio)butyramide Formula: C20H28N3OS2+ MolecularWeight: 390.58582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(S2)C[NH+](CC3)C(C)C

InChI

InChI=1S/C20H27N3OS2/c1-14(2)23-11-10-17-18(13-23)26-20(21-17)22-19(24)5-4-12-25-16-8-6-15(3)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,21,22,24)/p+1