N-(2-adamantylcarbamothioyl)-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-(4-nitrophenoxy)ethanamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-(4-nitrophenoxy)acetamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-(4-nitrophenoxy)acetamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-(4-nitrophenoxy)acetamide Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c23-17(10-26-16-3-1-15(2-4-16)22(24)25)20-19(27)21-18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,11-14,18H,5-10H2,(H2,20,21,23,27)