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

Systemtic Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-5-9-26-19-8-7-18(29-6-2)11-20(19)31-23(26)24-21(27)14-30-15-22(28)25-12-16(3)10-17(4)13-25/h1,7-8,11,16-17H,6,9-10,12-15H2,2-4H3