N-[2-[[2-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-2-oxidanylidene-ethyl]amino]-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[[2-(2-cyano-4-fluoranyl-pyrrolidin-1-yl)-2-oxidanylidene-ethyl]amino]-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[[2-(2-cyano-4-fluoro-pyrrolidin-1-yl)-2-oxo-ethyl]amino]-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[[2-(2-cyano-4-fluoro-1-pyrrolidinyl)-2-oxoethyl]amino]-2-methylpropyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[[2-(2-cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]-2-methylpropyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[[2-(2-cyano-4-fluoro-pyrrolidino)-2-keto-ethyl]amino]-2-methyl-propyl]-1,3-benzothiazole-6-carboxamide Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(C=C1)N=CS2)NCC(=O)N3CC(CC3C#N)F

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(C=C1)N=CS2)NCC(=O)N3CC(CC3C#N)F

InChI

InChI=1S/C19H22FN5O2S/c1-19(2,24-8-17(26)25-9-13(20)6-14(25)7-21)10-22-18(27)12-3-4-15-16(5-12)28-11-23-15/h3-5,11,13-14,24H,6,8-10H2,1-2H3,(H,22,27)