N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H20N6O7S MolecularWeight: 452.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O7S/c24-14(9-18-15(25)10-4-2-1-3-5-10)20-21-17(31)19-16(26)11-6-12(22(27)28)8-13(7-11)23(29)30/h6-8,10H,1-5,9H2,(H,18,25)(H,20,24)(H2,19,21,26,31)