N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17ClN4O6S MolecularWeight: 452.86878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O6S/c1-18(2,3)10-6-13(19)15(24)14(7-10)20-17(30)21-16(25)9-4-11(22(26)27)8-12(5-9)23(28)29/h4-8,24H,1-3H3,(H2,20,21,25,30)