N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c19-13-1-2-14(15(6-13)22(24)25)20-17(26)21-16(23)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H2,20,21,23,26)