4-methyl-5-[4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

Systemtic Name: 4-methyl-5-[4-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one Openeye Name: 4-methyl-5-[4-(4-methylsulfanyl-3-nitro-benzoyl)piperazin-1-yl]sulfonyl-3H-thiazol-2-one CAS Name: 4-methyl-5-[[4-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-3H-thiazol-2-one IUPAC Name: 4-methyl-5-[4-(4-methylsulfanyl-3-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one Traditional Name: 4-methyl-5-[4-[4-(methylthio)-3-nitro-benzoyl]piperazino]sulfonyl-4-thiazolin-2-one Formula: C16H18N4O6S3 MolecularWeight: 458.53232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S3/c1-10-15(28-16(22)17-10)29(25,26)19-7-5-18(6-8-19)14(21)11-3-4-13(27-2)12(9-11)20(23)24/h3-4,9H,5-8H2,1-2H3,(H,17,22)