3-[[2-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[2-[1-(4-methylsulfanyl-3-nitro-phenyl)carbonylpiperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[2-[1-(4-methylsulfanyl-3-nitro-benzoyl)-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[2-[1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-4-piperidinyl]-1-imidazolyl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[2-[1-(4-methylsulfanyl-3-nitrobenzoyl)piperidin-4-yl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[2-[1-[4-(methylthio)-3-nitro-benzoyl]-4-piperidyl]imidazol-1-yl]methyl]-1,3-benzothiazol-2-one Formula: C24H23N5O4S2 MolecularWeight: 509.60052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5SC4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O4S2/c1-34-20-7-6-17(14-19(20)29(32)33)23(30)26-11-8-16(9-12-26)22-25-10-13-27(22)15-28-18-4-2-3-5-21(18)35-24(28)31/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3