N-(1-adamantyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=C(O4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c23-17(21-19-7-11-3-12(8-19)5-13(4-11)9-19)10-27-18-20-15-6-14(22(24)25)1-2-16(15)26-18/h1-2,6,11-13H,3-5,7-10H2,(H,21,23)