N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[(4-fluorophenyl)methylthio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[(4-fluorobenzyl)thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C26H22FN3O2S2 MolecularWeight: 491.600183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C26H22FN3O2S2/c27-18-9-7-17(8-10-18)16-33-26-29-22-12-11-19(15-23(22)34-26)28-24(31)20-5-1-2-6-21(20)25(32)30-13-3-4-14-30/h1-2,5-12,15H,3-4,13-14,16H2,(H,28,31)