N-[(3-butan-2-yloxyphenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[(3-sec-butoxyphenyl)carbamothioyl]benzamide CAS Name: N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[(3-sec-butoxyphenyl)thiocarbamoyl]benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

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