ethyl N-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl]-N-ethoxycarbonyl-carbamate

Systemtic Name: ethyl N-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl]-N-ethoxycarbonyl-carbamate Openeye Name: ethyl N-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl]-N-ethoxycarbonyl-carbamate CAS Name: N-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl]-N-ethoxycarbonylcarbamic acid ethyl ester IUPAC Name: ethyl N-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl]-N-ethoxycarbonylcarbamate Traditional Name: N-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl]-N-carbethoxy-carbamic acid ethyl ester Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)N(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)C(=O)OCC

InChI

InChI=1S/C23H28N4O4S2/c1-4-30-22(28)27(23(29)31-5-2)13-8-14-32-20-11-12-24-19(16(20)3)15-33-21-25-17-9-6-7-10-18(17)26-21/h6-7,9-12H,4-5,8,13-15H2,1-3H3,(H,25,26)