7-bromanyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide

Systemtic Name: 7-bromanyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: 7-bromo-N-[5-(m-tolylmethyl)thiazol-2-yl]-1-benzoxepine-4-carboxamide CAS Name: 7-bromo-N-[5-[(3-methylphenyl)methyl]-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Traditional Name: 7-bromo-N-[5-(3-methylbenzyl)thiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC=C3

InChI

InChI=1S/C22H17BrN2O2S/c1-14-3-2-4-15(9-14)10-19-13-24-22(28-19)25-21(26)16-7-8-27-20-6-5-18(23)12-17(20)11-16/h2-9,11-13H,10H2,1H3,(H,24,25,26)