2-[bis(quinolin-2-ylmethyl)amino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[bis(quinolin-2-ylmethyl)amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[bis(2-quinolylmethyl)amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[bis(2-quinolinylmethyl)amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[bis(quinolin-2-ylmethyl)amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[bis(2-quinolylmethyl)amino]-3-(methylthio)propionic acid Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S/c1-30-16-23(24(28)29)27(14-19-12-10-17-6-2-4-8-21(17)25-19)15-20-13-11-18-7-3-5-9-22(18)26-20/h2-13,23H,14-16H2,1H3,(H,28,29)