ethyl 4-[2-(1,4-diphenylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1,4-diphenylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1,4-diphenyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1,4-diphenylimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-2-32-25(31)20-13-15-21(16-14-20)27-24(30)18-33-26-28-23(19-9-5-3-6-10-19)17-29(26)22-11-7-4-8-12-22/h3-17H,2,18H2,1H3,(H,27,30)