4-[4-methyl-2-[2-(1-propan-2-ylimidazol-4-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]benzoic acid

Systemtic Name: 4-[4-methyl-2-[2-(1-propan-2-ylimidazol-4-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]benzoic acid Openeye Name: 4-[2-[2-(1-isopropylimidazol-4-yl)ethylcarbamoylamino]-4-methyl-thiazol-5-yl]benzoic acid CAS Name: 4-[4-methyl-2-[[oxo-[2-(1-propan-2-yl-4-imidazolyl)ethylamino]methyl]amino]-5-thiazolyl]benzoic acid IUPAC Name: 4-[4-methyl-2-[2-(1-propan-2-ylimidazol-4-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]benzoic acid Traditional Name: 4-[2-[2-(1-isopropylimidazol-4-yl)ethylcarbamoylamino]-4-methyl-thiazol-5-yl]benzoic acid Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NCCC2=CN(C=N2)C(C)C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)NCCC2=CN(C=N2)C(C)C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H23N5O3S/c1-12(2)25-10-16(22-11-25)8-9-21-19(28)24-20-23-13(3)17(29-20)14-4-6-15(7-5-14)18(26)27/h4-7,10-12H,8-9H2,1-3H3,(H,26,27)(H2,21,23,24,28)