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

Systemtic Name: methyl 4-[2-(1,4-diphenylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(1,4-diphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1,4-diphenylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3S/c1-31-24(30)19-12-14-20(15-13-19)26-23(29)17-32-25-27-22(18-8-4-2-5-9-18)16-28(25)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,26,29)