2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl-methyl-amino]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]-methyl-amino]-N-(4-fluorophenyl)acetamide Formula: C18H16FN3O2S2 MolecularWeight: 389.466943

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16FN3O2S2/c1-22(10-16(23)20-13-8-6-12(19)7-9-13)17(24)11-25-18-21-14-4-2-3-5-15(14)26-18/h2-9H,10-11H2,1H3,(H,20,23)