4,5-dimethyl-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-2-thione

Systemtic Name: 4,5-dimethyl-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-2-thione Openeye Name: 4,5-dimethyl-3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]oxazole-2-thione CAS Name: 4,5-dimethyl-3-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-oxazolethione IUPAC Name: 4,5-dimethyl-3-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-2-thione Traditional Name: 4,5-dimethyl-3-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]-4-oxazoline-2-thione Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(OC(=S)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C20H23N3O3S2/c1-15-16(2)26-20(27)23(15)14-21-9-11-22(12-10-21)28(24,25)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13H,9-12,14H2,1-2H3/p+1