2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C20H26N4O4S2/c1-4-23-16-6-5-15(24(27)28)8-17(16)30-20(23)21-18(25)11-29-12-19(26)22-9-13(2)7-14(3)10-22/h5-6,8,13-14H,4,7,9-12H2,1-3H3