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

Systemtic Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O4S2/c1-12-4-3-7-21(9-12)17(24)11-27-10-16(23)19-18-20(2)14-6-5-13(22(25)26)8-15(14)28-18/h5-6,8,12H,3-4,7,9-11H2,1-2H3