2-[2-(1,3-benzoxazol-2-ylmethylamino)phenyl]sulfanylethanamide

Systemtic Name: 2-[2-(1,3-benzoxazol-2-ylmethylamino)phenyl]sulfanylethanamide Openeye Name: 2-[2-(1,3-benzoxazol-2-ylmethylamino)phenyl]sulfanylacetamide CAS Name: 2-[[2-(1,3-benzoxazol-2-ylmethylamino)phenyl]thio]acetamide IUPAC Name: 2-[2-(1,3-benzoxazol-2-ylmethylamino)phenyl]sulfanylacetamide Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylmethylamino)phenyl]thio]acetamide Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)CNC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)CNC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C16H15N3O2S/c17-15(20)10-22-14-8-4-2-6-12(14)18-9-16-19-11-5-1-3-7-13(11)21-16/h1-8,18H,9-10H2,(H2,17,20)