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

Systemtic Name: N'-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-pyridin-4-yl]-N,N'-dimethyl-N-phenethyl-ethane-1,2-diamine Openeye Name: N'-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloro-4-pyridyl]-N,N'-dimethyl-N-phenethyl-ethane-1,2-diamine CAS Name: N'-[2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-4-pyridinyl]-N,N'-dimethyl-N-phenethylethane-1,2-diamine IUPAC Name: N'-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloropyridin-4-yl]-N,N'-dimethyl-N-phenethylethane-1,2-diamine Traditional Name: [2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-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)CSC3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

CN(CCC1=CC=CC=C1)CCN(C)C2=C(C(=NC=C2)CSC3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C25H28ClN5S/c1-30(15-13-19-8-4-3-5-9-19)16-17-31(2)23-12-14-27-22(24(23)26)18-32-25-28-20-10-6-7-11-21(20)29-25/h3-12,14H,13,15-18H2,1-2H3,(H,28,29)