N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c28-19(14-6-2-1-3-7-14)23-16-12-10-15(11-13-16)20(29)25-26-22(33)24-21(30)17-8-4-5-9-18(17)27(31)32/h4-5,8-14H,1-3,6-7H2,(H,23,28)(H,25,29)(H2,24,26,30,33)