N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H23N3O4S/c1-26-16-3-2-14(22(24)25)7-15(16)20-18(27)21-17(23)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H2,20,21,23,27)