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

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CC(CC(C3)C)C)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CC(CC(C3)C)C)S2)C

InChI

InChI=1S/C21H29N3O3S2/c1-5-27-16-6-7-17-18(9-16)29-21(23(17)4)22-19(25)12-28-13-20(26)24-10-14(2)8-15(3)11-24/h6-7,9,14-15H,5,8,10-13H2,1-4H3