Molecule ID: 2082

IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate

Description: The molecule is a carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations. It has a role as a tubulin modulator, a microtubule-destabilising agent and an anthelminthic drug. It is a carbamate ester, a benzimidazolylcarbamate fungicide, an aryl sulfide and a member of benzimidazoles.

SMILES: CCCSc1ccc2nc(N=C(O)OC)[nH]c2c1

SELFIES: [C][C][C][S][C][=C][C][=C][N][=C][Branch1][Branch2][N][=C][Branch1][C][O][O][C][NH1][C][Ring1][#Branch2][=C][Ring1][=C]

InChI: InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

Molecular Properties:
- Polar Surface Area: 92.3 Ų
- LogP: 2.9