4-nitro-N-octyl-2-(phenylmethylsulfanyl)benzamide

Systemtic Name: 4-nitro-N-octyl-2-(phenylmethylsulfanyl)benzamide Openeye Name: 2-benzylsulfanyl-4-nitro-N-octyl-benzamide CAS Name: 4-nitro-N-octyl-2-(phenylmethylthio)benzamide IUPAC Name: 2-benzylsulfanyl-4-nitro-N-octylbenzamide Traditional Name: 2-(benzylthio)-4-nitro-N-octyl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])SCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-2-3-4-5-6-10-15-23-22(25)20-14-13-19(24(26)27)16-21(20)28-17-18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15,17H2,1H3,(H,23,25)