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

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-7-methoxy-1-benzoxepin-4-carboxamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-7-methoxy-1-benzoxepin-4-carboxamide Formula: C22H17BrN2O3S MolecularWeight: 469.35098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC=CC(=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)OC=CC(=C2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O3S/c1-27-18-6-7-20-16(12-18)11-15(8-9-28-20)21(26)25-22-24-13-19(29-22)10-14-2-4-17(23)5-3-14/h2-9,11-13H,10H2,1H3,(H,24,25,26)