N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(cyclohexylamino)-oxomethyl]-N-methylanilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methylcarbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(cyclohexylcarbamoyl)phenyl]-methyl-thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-25(19-10-6-5-9-18(19)21(29)23-15-7-3-2-4-8-15)22(34)24-20(28)14-11-16(26(30)31)13-17(12-14)27(32)33/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,29)(H,24,28,34)