(phenylmethyl) 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]butanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxobutyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(4-methylquinolin-2-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(4-methyl-2-quinolyl)thio]butanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C26H25N3O3S2/c1-4-21(33-22-14-16(2)19-12-8-9-13-20(19)28-22)24(30)29-26-27-17(3)23(34-26)25(31)32-15-18-10-6-5-7-11-18/h5-14,21H,4,15H2,1-3H3,(H,27,29,30)