2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[3-[methyl-(phenylmethyl)amino]propyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[3-[methyl-(phenylmethyl)amino]propyl]ethanamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[3-[methyl-(phenylmethyl)amino]propyl]acetamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)CSCC1=CC(=C(C=C1)OC)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4S/c1-23(14-17-7-4-3-5-8-17)12-6-11-22-21(25)16-29-15-18-9-10-20(28-2)19(13-18)24(26)27/h3-5,7-10,13H,6,11-12,14-16H2,1-2H3,(H,22,25)