4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylaniline dihydrochloride

Systemtic Name: 4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylaniline dihydrochloride Openeye Name: 4-[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]sulfanylaniline dihydrochloride CAS Name: 4-[[1-(1-imidazolyl)-4-(4-methoxyphenyl)butan-2-yl]thio]aniline dihydrochloride IUPAC Name: 4-[1-imidazol-1-yl-4-(4-methoxyphenyl)butan-2-yl]sulfanylaniline dihydrochloride Traditional Name: [4-[[1-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)propyl]thio]phenyl]amine dihydrochloride Formula: C20H25Cl2N3OS MolecularWeight: 426.403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CCC(CN2C=CN=C2)SC3=CC=C(C=C3)N.Cl.Cl

InChI

InChI=1S/C20H23N3OS.2ClH/c1-24-18-7-2-16(3-8-18)4-9-20(14-23-13-12-22-15-23)25-19-10-5-17(21)6-11-19;;/h2-3,5-8,10-13,15,20H,4,9,14,21H2,1H3;2*1H