Molecule ID: 3334

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

Description: The molecule is a member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. It has a role as an antinematodal drug. It is a member of benzimidazoles, a carbamate ester and an aryl sulfide.

SMILES: COC(O)=Nc1nc2ccc(Sc3ccccc3)cc2[nH]1

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

InChI: InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

Molecular Properties:
- Polar Surface Area: 92.3 Ų
- LogP: 3.6