N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(butylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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