4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-methyl-N-[(2-nitrophenyl)methyl]benzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-methyl-N-[(2-nitrophenyl)methyl]benzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-methyl-N-(2-nitrobenzyl)benzamide Formula: C23H20N4O3S MolecularWeight: 432.4949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H20N4O3S/c1-26(14-18-6-2-5-9-21(18)27(29)30)22(28)17-12-10-16(11-13-17)15-31-23-24-19-7-3-4-8-20(19)25-23/h2-13H,14-15H2,1H3,(H,24,25)