(phenylmethyl) 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: benzyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiazole-5-carboxylic acid benzyl ester Formula: C26H24N4O3S2 MolecularWeight: 504.62376

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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=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S2/c1-3-21(34-22-14-20(27-16-28-22)19-12-8-5-9-13-19)24(31)30-26-29-17(2)23(35-26)25(32)33-15-18-10-6-4-7-11-18/h4-14,16,21H,3,15H2,1-2H3,(H,29,30,31)