2-(1-adamantyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c23-16-2-1-14(22(25)26)6-15(16)20-18(27)21-17(24)10-19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13,23H,3-5,7-10H2,(H2,20,21,24,27)