N-[4-[2,3-bis(3-azanylpropylsulfanyl)propoxy]phenyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[4-[2,3-bis(3-azanylpropylsulfanyl)propoxy]phenyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[4-[2,3-bis(3-aminopropylsulfanyl)propoxy]phenyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[4-[2,3-bis(3-aminopropylthio)propoxy]phenyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[4-[2,3-bis(3-aminopropylsulfanyl)propoxy]phenyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[4-[2,3-bis(3-aminopropylthio)propoxy]phenyl]-2-phenyl-cinchoninamide Formula: C31H36N4O2S2 MolecularWeight: 560.77314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)OCC(CSCCCN)SCCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=C(C=C4)OCC(CSCCCN)SCCCN

InChI

InChI=1S/C31H36N4O2S2/c32-16-6-18-38-22-26(39-19-7-17-33)21-37-25-14-12-24(13-15-25)34-31(36)28-20-30(23-8-2-1-3-9-23)35-29-11-5-4-10-27(28)29/h1-5,8-15,20,26H,6-7,16-19,21-22,32-33H2,(H,34,36)