N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H18N6O7S MolecularWeight: 474.44722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O7S/c1-10(2)16(26)20-13-5-3-11(4-6-13)18(28)22-23-19(33)21-17(27)12-7-14(24(29)30)9-15(8-12)25(31)32/h3-10H,1-2H3,(H,20,26)(H,22,28)(H2,21,23,27,33)