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

Systemtic Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-2-27-15-3-4-16(17(8-15)23(25)26)21-19(28)22-18(24)20-9-12-5-13(10-20)7-14(6-12)11-20/h3-4,8,12-14H,2,5-7,9-11H2,1H3,(H2,21,22,24,28)