1-[(2,4-dinitrophenyl)sulfanylmethyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 1-[(2,4-dinitrophenyl)sulfanylmethyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 1-[(2,4-dinitrophenyl)sulfanylmethyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 1-[[(2,4-dinitrophenyl)thio]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 1-[(2,4-dinitrophenyl)sulfanylmethyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 1-[[(2,4-dinitrophenyl)thio]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c26-21(23-14-11-17-7-3-1-4-8-17)22(12-5-2-6-13-22)16-31-20-10-9-18(24(27)28)15-19(20)25(29)30/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,23,26)