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

Systemtic Name: N-[[[4-(2-methylpropoxy)phenyl]carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-isobutoxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-isobutoxybenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O7S MolecularWeight: 461.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O7S/c1-11(2)10-31-16-5-3-12(4-6-16)18(26)21-22-19(32)20-17(25)13-7-14(23(27)28)9-15(8-13)24(29)30/h3-9,11H,10H2,1-2H3,(H,21,26)(H2,20,22,25,32)