N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-thiophen-3-yl-pyridine-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-thiophen-3-yl-pyridine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(3-thienyl)-2-thiomorpholino-pyridine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-(3-thiophenyl)-3-pyridinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-thiophen-3-ylpyridine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-6-(3-thienyl)-2-thiomorpholino-nicotinamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=CC(=N2)C3=CSC=C3)C(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CSCCN1C2=C(C=CC(=N2)C3=CSC=C3)C(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H21N5OS2/c28-22(23-13-20-24-18-3-1-2-4-19(18)25-20)16-5-6-17(15-7-10-30-14-15)26-21(16)27-8-11-29-12-9-27/h1-7,10,14H,8-9,11-13H2,(H,23,28)(H,24,25)