4-[1-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(E)-cinnamyl]sulfanyl-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[(E)-3-phenylprop-2-enyl]thio]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(E)-cinnamyl]thio]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCC=CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c1-2-25-21-11-10-19(30(26,27)24-12-14-28-15-13-24)17-20(21)23-22(25)29-16-6-9-18-7-4-3-5-8-18/h3-11,17H,2,12-16H2,1H3/b9-6+