6-fluoranyl-3-[3-(4-phenylsulfanylpiperidin-1-yl)propyl]-1,2-benzoxazole

Systemtic Name: 6-fluoranyl-3-[3-(4-phenylsulfanylpiperidin-1-yl)propyl]-1,2-benzoxazole Openeye Name: 6-fluoro-3-[3-(4-phenylsulfanyl-1-piperidyl)propyl]-1,2-benzoxazole CAS Name: 6-fluoro-3-[3-[4-(phenylthio)-1-piperidinyl]propyl]-1,2-benzoxazole IUPAC Name: 6-fluoro-3-[3-(4-phenylsulfanylpiperidin-1-yl)propyl]-1,2-benzoxazole Traditional Name: 6-fluoro-3-[3-[4-(phenylthio)piperidino]propyl]indoxazene Formula: C21H23FN2OS MolecularWeight: 370.483523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CC=CC=C2)CCCC3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

C1CN(CCC1SC2=CC=CC=C2)CCCC3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C21H23FN2OS/c22-16-8-9-19-20(23-25-21(19)15-16)7-4-12-24-13-10-18(11-14-24)26-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,18H,4,7,10-14H2