1-(2,4-dimethylpiperidin-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-(2,4-dimethylpiperidin-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(2,4-dimethyl-1-piperidyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-(2,4-dimethyl-1-piperidinyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-(2,4-dimethylpiperidin-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(2,4-dimethylpiperidino)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]ethanone Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(C1)C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C(C1)C)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S2/c1-10-5-6-18(11(2)7-10)15(20)9-23-16-17-13-4-3-12(19(21)22)8-14(13)24-16/h3-4,8,10-11H,5-7,9H2,1-2H3