3-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-N-(cyanomethyl)-2-(ethylamino)-2H-1,3-thiazole-5-carboxamide

Systemtic Name: 3-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]-N-(cyanomethyl)-2-(ethylamino)-2H-1,3-thiazole-5-carboxamide Openeye Name: 3-[(2-benzyloxy-5-bromo-phenyl)methyl]-N-(cyanomethyl)-2-(ethylamino)-2H-thiazole-5-carboxamide CAS Name: 3-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-(cyanomethyl)-2-(ethylamino)-2H-thiazole-5-carboxamide IUPAC Name: 3-[(5-bromo-2-phenylmethoxyphenyl)methyl]-N-(cyanomethyl)-2-(ethylamino)-2H-1,3-thiazole-5-carboxamide Traditional Name: 3-(2-benzoxy-5-bromo-benzyl)-N-(cyanomethyl)-2-(ethylamino)-4-thiazoline-5-carboxamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1N(C=C(S1)C(=O)NCC#N)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCNC1N(C=C(S1)C(=O)NCC#N)CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN4O2S/c1-2-25-22-27(14-20(30-22)21(28)26-11-10-24)13-17-12-18(23)8-9-19(17)29-15-16-6-4-3-5-7-16/h3-9,12,14,22,25H,2,11,13,15H2,1H3,(H,26,28)