2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-methoxy-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-methoxy-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-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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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)OC)CC#C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CC#C)C

InChI

InChI=1S/C22H27N3O3S2/c1-5-8-25-18-7-6-17(28-4)10-19(18)30-22(25)23-20(26)13-29-14-21(27)24-11-15(2)9-16(3)12-24/h1,6-7,10,15-16H,8-9,11-14H2,2-4H3