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

Systemtic Name: 4-nitro-N-(phenylmethyl)-2-(phenylmethylsulfanyl)benzamide Openeye Name: N-benzyl-2-benzylsulfanyl-4-nitro-benzamide CAS Name: 4-nitro-N-(phenylmethyl)-2-(phenylmethylthio)benzamide IUPAC Name: N-benzyl-2-benzylsulfanyl-4-nitrobenzamide Traditional Name: N-benzyl-2-(benzylthio)-4-nitro-benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c24-21(22-14-16-7-3-1-4-8-16)19-12-11-18(23(25)26)13-20(19)27-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,24)