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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N-(6-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H22FN3O2S2 MolecularWeight: 419.535983

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSCC(=O)N3CCCCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H22FN3O2S2/c1-2-9-24-16-8-7-15(21)12-17(16)28-20(24)22-18(25)13-27-14-19(26)23-10-5-3-4-6-11-23/h1,7-8,12H,3-6,9-11,13-14H2