N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c1-3-10(2)11-4-5-16(23)15(8-11)19-18(29)20-17(24)12-6-13(21(25)26)9-14(7-12)22(27)28/h4-10,23H,3H2,1-2H3,(H2,19,20,24,29)