(1S)-3-methylsulfanyl-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine

Systemtic Name: (1S)-3-methylsulfanyl-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine Openeye Name: (1S)-3-methylsulfanyl-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine CAS Name: (1S)-3-(methylthio)-1-[1-[(4-nitrophenyl)methyl]-2-benzimidazolyl]-1-propanamine IUPAC Name: (1S)-3-methylsulfanyl-1-[1-[(4-nitrophenyl)methyl]benzimidazol-2-yl]propan-1-amine Traditional Name: [(1S)-3-(methylthio)-1-[1-(4-nitrobenzyl)benzimidazol-2-yl]propyl]amine Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H20N4O2S/c1-25-11-10-15(19)18-20-16-4-2-3-5-17(16)21(18)12-13-6-8-14(9-7-13)22(23)24/h2-9,15H,10-12,19H2,1H3/t15-/m0/s1