2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine hydrochloride

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine hydrochloride Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloro-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine hydrochloride CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-N-methyl-N-[2-(4-phenyl-1-piperazinyl)ethyl]-4-pyridinamine hydrochloride IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloro-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine hydrochloride Traditional Name: [2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-4-pyridyl]-methyl-[2-(4-phenylpiperazino)ethyl]amine hydrochloride Formula: C26H30Cl2N6S MolecularWeight: 529.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)C2=CC=CC=C2)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl.Cl

Isomeric SMILES

CN(CCN1CCN(CC1)C2=CC=CC=C2)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl.Cl

InChI

InChI=1S/C26H29ClN6S.ClH/c1-31(13-14-32-15-17-33(18-16-32)20-7-3-2-4-8-20)24-11-12-28-23(25(24)27)19-34-26-29-21-9-5-6-10-22(21)30-26;/h2-12H,13-19H2,1H3,(H,29,30);1H