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

Systemtic Name: N-[(2-cyano-4-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2-cyano-4-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(2-cyano-4-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-cyano-4-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2-cyano-4-nitro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c20-10-14-6-15(23(25)26)1-2-16(14)21-18(27)22-17(24)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-9H2,(H2,21,22,24,27)