N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[4-(4-ethoxyphenyl)-2-thiazolyl]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(4-p-phenetylthiazol-2-yl)butyramide Formula: C21H21FN2O2S2 MolecularWeight: 416.532043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2S2/c1-2-26-17-9-5-15(6-10-17)19-14-28-21(23-19)24-20(25)4-3-13-27-18-11-7-16(22)8-12-18/h5-12,14H,2-4,13H2,1H3,(H,23,24,25)