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

Systemtic Name: methyl 4-[4-methyl-2-[2-(1-propan-2-ylimidazol-4-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]benzoate Openeye Name: methyl 4-[2-[2-(1-isopropylimidazol-4-yl)ethylcarbamoylamino]-4-methyl-thiazol-5-yl]benzoate CAS Name: 4-[4-methyl-2-[[oxo-[2-(1-propan-2-yl-4-imidazolyl)ethylamino]methyl]amino]-5-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-methyl-2-[2-(1-propan-2-ylimidazol-4-yl)ethylcarbamoylamino]-1,3-thiazol-5-yl]benzoate Traditional Name: 4-[2-[2-(1-isopropylimidazol-4-yl)ethylcarbamoylamino]-4-methyl-thiazol-5-yl]benzoic acid methyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-13(2)26-11-17(23-12-26)9-10-22-20(28)25-21-24-14(3)18(30-21)15-5-7-16(8-6-15)19(27)29-4/h5-8,11-13H,9-10H2,1-4H3,(H2,22,24,25,28)