Molecule ID: 442119

IUPAC Name: 6-chloro-4H-thieno[2,3-b]indole-2-carboxamide

Description: The molecule is an indole alkaloid that is a thienoindole ring with carboxamide group and chlorine substituents at positions 2 and 6 respectively. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is an indole alkaloid, an organosulfur heterocyclic compound, an organic heterotricyclic compound, an organochlorine compound, a monocarboxylic acid amide and an aromatic amide.

SMILES: NC(=O)c1cc2c([nH]c3cc(Cl)ccc32)s1

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

InChI: InChI=1S/C11H7ClN2OS/c12-5-1-2-6-7-4-9(10(13)15)16-11(7)14-8(6)3-5/h1-4,14H,(H2,13,15)

Molecular Properties:
- Polar Surface Area: 87.1 Ų
- LogP: 3.2