4-tert-butyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O4S/c1-18(2,3)12-6-4-11(5-7-12)16(23)20-17(26)19-14-10-13(21(24)25)8-9-15(14)22/h4-10,22H,1-3H3,(H2,19,20,23,26)