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

Systemtic Name: ethyl N-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-pyridin-4-yl]sulfanylpropyl]-N-(phenylmethyl)carbamate Openeye Name: ethyl N-[3-[[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methyl-4-pyridyl]sulfanyl]propyl]-N-benzyl-carbamate CAS Name: N-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridinyl]thio]propyl]-N-(phenylmethyl)carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-methylpyridin-4-yl]sulfanylpropyl]-N-benzylcarbamate Traditional Name: N-[3-[[2-[(1H-benzimidazol-2-ylthio)methyl]-3-methyl-4-pyridyl]thio]propyl]-N-benzyl-carbamic acid ethyl ester Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N(CCCSC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S2/c1-3-33-27(32)31(18-21-10-5-4-6-11-21)16-9-17-34-25-14-15-28-24(20(25)2)19-35-26-29-22-12-7-8-13-23(22)30-26/h4-8,10-15H,3,9,16-19H2,1-2H3,(H,29,30)