2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylideneamino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methyleneamino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylideneamino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)amino]acetamide Formula: C21H21FN4OS2 MolecularWeight: 428.546043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=NNC(=O)CSC2=NC3=CC=CC=C3S2)F)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1C=NNC(=O)CSC2=NC3=CC=CC=C3S2)F)N4CCCC4

InChI

InChI=1S/C21H21FN4OS2/c1-14-10-18(26-8-4-5-9-26)16(22)11-15(14)12-23-25-20(27)13-28-21-24-17-6-2-3-7-19(17)29-21/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3,(H,25,27)