2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoyl-methyl-amino]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methyl-amino]-N-(3-fluorophenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]-methylamino]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]-methyl-amino]-N-(3-fluorophenyl)acetamide Formula: C19H18FN3O2S2 MolecularWeight: 403.493523

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18FN3O2S2/c1-23(10-17(24)21-14-6-4-5-13(20)9-14)19(25)12-26-11-18-22-15-7-2-3-8-16(15)27-18/h2-9H,10-12H2,1H3,(H,21,24)