2-chloranyl-N-cyclohexyl-5-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: 2-chloranyl-N-cyclohexyl-5-[(3,5-dinitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)carbamothioylamino]benzamide CAS Name: 2-chloro-N-cyclohexyl-5-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)carbamothioylamino]benzamide Traditional Name: 2-chloro-N-cyclohexyl-5-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzamide Formula: C21H20ClN5O6S MolecularWeight: 505.9314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O6S/c22-18-7-6-14(10-17(18)20(29)23-13-4-2-1-3-5-13)24-21(34)25-19(28)12-8-15(26(30)31)11-16(9-12)27(32)33/h6-11,13H,1-5H2,(H,23,29)(H2,24,25,28,34)