N-[(3-nitro-4-oxidanyl-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(3-nitro-4-oxidanyl-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-hydroxy-3-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(4-hydroxy-3-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-hydroxy-3-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-hydroxy-3-nitro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC(=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c22-15-2-1-13(6-14(15)21(24)25)19-17(26)20-16(23)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12,22H,3-5,7-9H2,(H2,19,20,23,26)