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

Systemtic Name: N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-[[2-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-3-11(2)20-18(26)15-6-4-5-7-16(15)21-19(31)22-17(25)12-8-13(23(27)28)10-14(9-12)24(29)30/h4-11H,3H2,1-2H3,(H,20,26)(H2,21,22,25,31)