N-ethyl-4-[[1-[[4-(ethylamino)phenyl]methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]aniline trihydrochloride

Systemtic Name: N-ethyl-4-[[1-[[4-(ethylamino)phenyl]methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]aniline trihydrochloride Openeye Name: N-ethyl-4-[[1-[[4-(ethylamino)phenyl]methylsulfanyl]-2-imidazol-1-yl-ethyl]sulfanylmethyl]aniline trihydrochloride CAS Name: N-ethyl-4-[[[1-[[4-(ethylamino)phenyl]methylthio]-2-(1-imidazolyl)ethyl]thio]methyl]aniline trihydrochloride IUPAC Name: N-ethyl-4-[[1-[[4-(ethylamino)phenyl]methylsulfanyl]-2-imidazol-1-ylethyl]sulfanylmethyl]aniline trihydrochloride Traditional Name: ethyl-[4-[[[1-[[4-(ethylamino)benzyl]thio]-2-imidazol-1-yl-ethyl]thio]methyl]phenyl]amine trihydrochloride Formula: C23H33Cl3N4S2 MolecularWeight: 536.02392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)NCC.Cl.Cl.Cl

Isomeric SMILES

CCNC1=CC=C(C=C1)CSC(CN2C=CN=C2)SCC3=CC=C(C=C3)NCC.Cl.Cl.Cl

InChI

InChI=1S/C23H30N4S2.3ClH/c1-3-25-21-9-5-19(6-10-21)16-28-23(15-27-14-13-24-18-27)29-17-20-7-11-22(12-8-20)26-4-2;;;/h5-14,18,23,25-26H,3-4,15-17H2,1-2H3;3*1H