N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]thiazol-2-yl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[4-[[(4-fluorophenyl)methylthio]methyl]-2-thiazolyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[4-[(4-fluorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[4-[[(4-fluorobenzyl)thio]methyl]thiazol-2-yl]-3-(4-methoxyphenyl)propionamide Formula: C21H21FN2O2S2 MolecularWeight: 416.532043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NC2=NC(=CS2)CSCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=NC(=CS2)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2S2/c1-26-19-9-4-15(5-10-19)6-11-20(25)24-21-23-18(14-28-21)13-27-12-16-2-7-17(22)8-3-16/h2-5,7-10,14H,6,11-13H2,1H3,(H,23,24,25)