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

Systemtic Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-4-[(4-fluorophenyl)thio]butyramide Formula: C21H21FN2OS2 MolecularWeight: 400.532643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2OS2/c1-14-5-10-18(15(2)12-14)19-13-27-21(23-19)24-20(25)4-3-11-26-17-8-6-16(22)7-9-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24,25)