butyl 4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCCCC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCCCC)C)C

InChI

InChI=1S/C22H31N3O3S/c1-5-7-13-25-17(4)16(3)23-22(25)29-15-20(26)24-19-11-9-18(10-12-19)21(27)28-14-8-6-2/h9-12H,5-8,13-15H2,1-4H3,(H,24,26)