7-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-[[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanylmethyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylmethyl]-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[[[2-keto-2-(4-tosylpiperazino)ethyl]thio]methyl]-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C20H23N4O4S3+ MolecularWeight: 479.61602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C20H22N4O4S3/c1-15-2-4-17(5-3-15)31(27,28)23-8-6-22(7-9-23)19(26)14-29-13-16-12-18(25)24-10-11-30-20(24)21-16/h2-5,10-12H,6-9,13-14H2,1H3/p+1