2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[bis(2-quinolylmethyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[bis(2-quinolinylmethyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[bis(2-quinolylmethyl)amino]-4-(methylthio)butyric acid Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N(CC1=NC2=CC=CC=C2C=C1)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CSCCC(C(=O)O)N(CC1=NC2=CC=CC=C2C=C1)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H25N3O2S/c1-31-15-14-24(25(29)30)28(16-20-12-10-18-6-2-4-8-22(18)26-20)17-21-13-11-19-7-3-5-9-23(19)27-21/h2-13,24H,14-17H2,1H3,(H,29,30)