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

Systemtic Name: 7-bromanyl-N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: 7-bromo-N-[5-[(3,5-dimethylphenyl)methyl]thiazol-2-yl]-1-benzoxepine-4-carboxamide CAS Name: 7-bromo-N-[5-[(3,5-dimethylphenyl)methyl]-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: 7-bromo-N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Traditional Name: 7-bromo-N-[5-(3,5-dimethylbenzyl)thiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C23H19BrN2O2S MolecularWeight: 467.37816

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O2S/c1-14-7-15(2)9-16(8-14)10-20-13-25-23(29-20)26-22(27)17-5-6-28-21-4-3-19(24)12-18(21)11-17/h3-9,11-13H,10H2,1-2H3,(H,25,26,27)