N,N'-bis[3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl]pentane-1,5-diamine

Systemtic Name: N,N'-bis[3-[(5-chloranyl-2-phenylsulfanyl-phenyl)amino]propyl]pentane-1,5-diamine Openeye Name: N,N'-bis[3-(5-chloro-2-phenylsulfanyl-anilino)propyl]pentane-1,5-diamine CAS Name: N,N'-bis[3-[5-chloro-2-(phenylthio)anilino]propyl]pentane-1,5-diamine IUPAC Name: N,N'-bis[3-(5-chloro-2-phenylsulfanylanilino)propyl]pentane-1,5-diamine Traditional Name: 3-[5-chloro-2-(phenylthio)anilino]propyl-[5-[3-[5-chloro-2-(phenylthio)anilino]propylamino]pentyl]amine Formula: C35H42Cl2N4S2 MolecularWeight: 653.77078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)NCCCNCCCCCNCCCNC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)NCCCNCCCCCNCCCNC3=C(C=CC(=C3)Cl)SC4=CC=CC=C4

InChI

InChI=1S/C35H42Cl2N4S2/c36-28-16-18-34(42-30-12-4-1-5-13-30)32(26-28)40-24-10-22-38-20-8-3-9-21-39-23-11-25-41-33-27-29(37)17-19-35(33)43-31-14-6-2-7-15-31/h1-2,4-7,12-19,26-27,38-41H,3,8-11,20-25H2