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

Systemtic Name: 2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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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)C)CC#C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)CC#C

InChI

InChI=1S/C21H25N3O2S2/c1-4-9-24-17-8-7-15(2)11-18(17)28-21(24)22-19(25)13-27-14-20(26)23-10-5-6-16(3)12-23/h1,7-8,11,16H,5-6,9-10,12-14H2,2-3H3/t16-/m1/s1