N-(1-adamantylcarbamothioyl)-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-(2-nitrophenoxy)ethanamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-(2-nitrophenoxy)acetamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-(2-nitrophenoxy)acetamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-(2-nitrophenoxy)acetamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

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