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

Systemtic Name: 2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]-N-(cyanomethyl)-1,3-thiazole-5-carboxamide Openeye Name: 2-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-N-(cyanomethyl)thiazole-5-carboxamide CAS Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-(cyanomethyl)-5-thiazolecarboxamide IUPAC Name: 2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-(cyanomethyl)-1,3-thiazole-5-carboxamide Traditional Name: 2-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-N-(cyanomethyl)thiazole-5-carboxamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(S3)C(=O)NCC#N

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(S3)C(=O)NCC#N

InChI

InChI=1S/C22H21BrN4O2S/c1-2-27(22-26-13-20(30-22)21(28)25-11-10-24)14-17-12-18(23)8-9-19(17)29-15-16-6-4-3-5-7-16/h3-9,12-13H,2,11,14-15H2,1H3,(H,25,28)