N,N'-bis[3-[(4-methylsulfanylphenyl)amino]propyl]pentane-1,5-diamine

Systemtic Name: N,N'-bis[3-[(4-methylsulfanylphenyl)amino]propyl]pentane-1,5-diamine Openeye Name: N,N'-bis[3-(4-methylsulfanylanilino)propyl]pentane-1,5-diamine CAS Name: N,N'-bis[3-[4-(methylthio)anilino]propyl]pentane-1,5-diamine IUPAC Name: N,N'-bis[3-(4-methylsulfanylanilino)propyl]pentane-1,5-diamine Traditional Name: 3-[4-(methylthio)anilino]propyl-[5-[3-[4-(methylthio)anilino]propylamino]pentyl]amine Formula: C25H40N4S2 MolecularWeight: 460.7419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NCCCNCCCCCNCCCNC2=CC=C(C=C2)SC

Isomeric SMILES

CSC1=CC=C(C=C1)NCCCNCCCCCNCCCNC2=CC=C(C=C2)SC

InChI

InChI=1S/C25H40N4S2/c1-30-24-12-8-22(9-13-24)28-20-6-18-26-16-4-3-5-17-27-19-7-21-29-23-10-14-25(31-2)15-11-23/h8-15,26-29H,3-7,16-21H2,1-2H3