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

Systemtic Name: N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H21N5O7S MolecularWeight: 475.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O7S/c1-12(2)7-8-32-17-5-3-13(4-6-17)19(27)22-23-20(33)21-18(26)14-9-15(24(28)29)11-16(10-14)25(30)31/h3-6,9-12H,7-8H2,1-2H3,(H,22,27)(H2,21,23,26,33)