N-cyclooctyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-cyclooctyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-cyclooctyl-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-cyclooctyl-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-cyclooctyl-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-cyclooctyl-4-(methylthio)-3-nitro-benzamide Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NC2CCCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC2CCCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O3S/c1-22-15-10-9-12(11-14(15)18(20)21)16(19)17-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8H2,1H3,(H,17,19)