N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-fluoranyl-benzamide

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-fluoranyl-benzamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3-fluoro-benzamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-3-fluorobenzamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-fluorobenzamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3-fluoro-benzamide Formula: C29H30FN3OS MolecularWeight: 487.631403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNC(=O)C2=CC(=CC=C2)F)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNC(=O)C2=CC(=CC=C2)F)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30FN3OS/c1-2-3-19-33-27(23-14-8-5-9-15-23)26(22-12-6-4-7-13-22)32-29(33)35-20-11-18-31-28(34)24-16-10-17-25(30)21-24/h4-10,12-17,21H,2-3,11,18-20H2,1H3,(H,31,34)