N'-[3-chloranyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-yl]-N,N'-dimethyl-N-phenethyl-ethane-1,2-diamine

Systemtic Name: N'-[3-chloranyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-yl]-N,N'-dimethyl-N-phenethyl-ethane-1,2-diamine Openeye Name: N'-[3-chloro-2-(1-methylsulfanylbenzimidazol-2-yl)-4-pyridyl]-N,N'-dimethyl-N-phenethyl-ethane-1,2-diamine CAS Name: N'-[3-chloro-2-[1-(methylthio)-2-benzimidazolyl]-4-pyridinyl]-N,N'-dimethyl-N-phenethylethane-1,2-diamine IUPAC Name: N'-[3-chloro-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-yl]-N,N'-dimethyl-N-phenethylethane-1,2-diamine Traditional Name: [3-chloro-2-[1-(methylthio)benzimidazol-2-yl]-4-pyridyl]-methyl-[2-[methyl(phenethyl)amino]ethyl]amine Formula: C25H28ClN5S MolecularWeight: 466.04132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CCN(C)C2=C(C(=NC=C2)C3=NC4=CC=CC=C4N3SC)Cl

Isomeric SMILES

CN(CCC1=CC=CC=C1)CCN(C)C2=C(C(=NC=C2)C3=NC4=CC=CC=C4N3SC)Cl

InChI

InChI=1S/C25H28ClN5S/c1-29(16-14-19-9-5-4-6-10-19)17-18-30(2)22-13-15-27-24(23(22)26)25-28-20-11-7-8-12-21(20)31(25)32-3/h4-13,15H,14,16-18H2,1-3H3