N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfanylphenoxy]propyl]butan-1-amine

Systemtic Name: N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfanylphenoxy]propyl]butan-1-amine Openeye Name: N-butyl-N-[3-[4-(2-isopropylindolizin-1-yl)sulfanylphenoxy]propyl]butan-1-amine CAS Name: N-butyl-N-[3-[4-[(2-propan-2-yl-1-indolizinyl)thio]phenoxy]propyl]-1-butanamine IUPAC Name: N-butyl-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfanylphenoxy]propyl]butan-1-amine Traditional Name: dibutyl-[3-[4-[(2-isopropylindolizin-1-yl)thio]phenoxy]propyl]amine Formula: C28H40N2OS MolecularWeight: 452.695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC1=CC=C(C=C1)SC2=C3C=CC=CN3C=C2C(C)C

Isomeric SMILES

CCCCN(CCCC)CCCOC1=CC=C(C=C1)SC2=C3C=CC=CN3C=C2C(C)C

InChI

InChI=1S/C28H40N2OS/c1-5-7-17-29(18-8-6-2)19-11-21-31-24-13-15-25(16-14-24)32-28-26(23(3)4)22-30-20-10-9-12-27(28)30/h9-10,12-16,20,22-23H,5-8,11,17-19,21H2,1-4H3