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

Systemtic Name: ethyl 2-[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-[4-[butylamino(oxo)methyl]phenyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-[4-(butylcarbamoyl)phenyl]imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3C(=O)OCC

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3C(=O)OCC

InChI

InChI=1S/C25H28N4O4S/c1-3-5-14-26-23(31)18-10-12-19(13-11-18)29-16-15-27-25(29)34-17-22(30)28-21-9-7-6-8-20(21)24(32)33-4-2/h6-13,15-16H,3-5,14,17H2,1-2H3,(H,26,31)(H,28,30)