N-[3-(3-fluorophenyl)-3-(3-methylimidazol-4-yl)butyl]-2-(3-methylphenyl)sulfanyl-propanamide

Systemtic Name: N-[3-(3-fluorophenyl)-3-(3-methylimidazol-4-yl)butyl]-2-(3-methylphenyl)sulfanyl-propanamide Openeye Name: N-[3-(3-fluorophenyl)-3-(3-methylimidazol-4-yl)butyl]-2-(m-tolylsulfanyl)propanamide CAS Name: N-[3-(3-fluorophenyl)-3-(3-methyl-4-imidazolyl)butyl]-2-[(3-methylphenyl)thio]propanamide IUPAC Name: N-[3-(3-fluorophenyl)-3-(3-methylimidazol-4-yl)butyl]-2-(3-methylphenyl)sulfanylpropanamide Traditional Name: N-[3-(3-fluorophenyl)-3-(3-methylimidazol-4-yl)butyl]-2-(m-tolylthio)propionamide Formula: C24H28FN3OS MolecularWeight: 425.562023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC(C)C(=O)NCCC(C)(C2=CC(=CC=C2)F)C3=CN=CN3C

Isomeric SMILES

CC1=CC(=CC=C1)SC(C)C(=O)NCCC(C)(C2=CC(=CC=C2)F)C3=CN=CN3C

InChI

InChI=1S/C24H28FN3OS/c1-17-7-5-10-21(13-17)30-18(2)23(29)27-12-11-24(3,22-15-26-16-28(22)4)19-8-6-9-20(25)14-19/h5-10,13-16,18H,11-12H2,1-4H3,(H,27,29)