methyl 4-[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[4-[butylamino(oxo)methyl]phenyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H26N4O4S/c1-3-4-13-25-22(30)17-7-11-20(12-8-17)28-15-14-26-24(28)33-16-21(29)27-19-9-5-18(6-10-19)23(31)32-2/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,25,30)(H,27,29)