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

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]acetamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C21H26N4O4S2/c1-4-7-24-17-6-5-16(25(28)29)9-18(17)31-21(24)22-19(26)12-30-13-20(27)23-10-14(2)8-15(3)11-23/h4-6,9,14-15H,1,7-8,10-13H2,2-3H3