N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]cyclohexanecarboxamide CAS Name: N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]cyclohexanecarboxamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H17N3O4S/c18-12-8-10(17(20)21)6-7-11(12)15-14(22)16-13(19)9-4-2-1-3-5-9/h6-9,18H,1-5H2,(H2,15,16,19,22)