N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(cyclohexylcarbonylamino)ethanoylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[2-(cyclohexanecarbonylamino)acetyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C17H21N5O5S MolecularWeight: 407.44414

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5S/c23-14(10-18-15(24)11-6-2-1-3-7-11)20-21-17(28)19-16(25)12-8-4-5-9-13(12)22(26)27/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,24)(H,20,23)(H2,19,21,25,28)