propyl 4-[2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: propyl 4-[2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: propyl 4-[[2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]acetyl]amino]benzoic acid propyl ester Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C(=O)C4=NC=CN4C

InChI

InChI=1S/C26H24N4O4S/c1-3-14-34-26(33)17-8-10-18(11-9-17)28-22(31)16-35-23-15-20(19-6-4-5-7-21(19)29-23)24(32)25-27-12-13-30(25)2/h4-13,15H,3,14,16H2,1-2H3,(H,28,31)