N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[[2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-2-[[2-[(2S)-2-ethylpiperidino]-2-keto-ethyl]thio]acetamide Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C)C

InChI

InChI=1S/C20H27N3O2S2/c1-4-15-7-5-6-10-23(15)19(25)13-26-12-18(24)21-20-22(3)16-9-8-14(2)11-17(16)27-20/h8-9,11,15H,4-7,10,12-13H2,1-3H3/t15-/m0/s1