N-[[3-(pyridin-3-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-(pyridin-3-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-(3-pyridylmethyl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-(3-pyridinylmethyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-(pyridin-3-ylmethyl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-(3-pyridylmethyl)phenyl]thiocarbamoyl]coumarilamide Formula: C22H17N3O2S MolecularWeight: 387.45428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=CC=CC(=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H17N3O2S/c26-21(20-13-17-7-1-2-9-19(17)27-20)25-22(28)24-18-8-3-5-15(12-18)11-16-6-4-10-23-14-16/h1-10,12-14H,11H2,(H2,24,25,26,28)