N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[2-[3-[(2,5-dimethylphenyl)methylthio]-1-indolyl]ethyl]-2-fluorobenzamide IUPAC Name: N-[2-[3-[(2,5-dimethylphenyl)methylsulfanyl]indol-1-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[2-[3-[(2,5-dimethylbenzyl)thio]indol-1-yl]ethyl]-2-fluoro-benzamide Formula: C26H25FN2OS MolecularWeight: 432.552903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H25FN2OS/c1-18-11-12-19(2)20(15-18)17-31-25-16-29(24-10-6-4-8-22(24)25)14-13-28-26(30)21-7-3-5-9-23(21)27/h3-12,15-16H,13-14,17H2,1-2H3,(H,28,30)