N-[(2-nitrophenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2-nitrophenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(2-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2-nitrophenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c22-16(18-8-11-5-12(9-18)7-13(6-11)10-18)20-17(25)19-14-3-1-2-4-15(14)21(23)24/h1-4,11-13H,5-10H2,(H2,19,20,22,25)