2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-pyridin-4-amine

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloranyl-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-pyridin-4-amine Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloro-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-pyridin-4-amine CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-4-pyridinamine IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-chloro-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpyridin-4-amine Traditional Name: [2-[(1H-benzimidazol-2-ylthio)methyl]-3-chloro-4-pyridyl]-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-methyl-amine Formula: C28H32ClN5O2S MolecularWeight: 538.10398

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CN(CCCN1CCC2=CC(=C(C=C2C1)OC)OC)C3=C(C(=NC=C3)CSC4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C28H32ClN5O2S/c1-33(12-6-13-34-14-10-19-15-25(35-2)26(36-3)16-20(19)17-34)24-9-11-30-23(27(24)29)18-37-28-31-21-7-4-5-8-22(21)32-28/h4-5,7-9,11,15-16H,6,10,12-14,17-18H2,1-3H3,(H,31,32)