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

Systemtic Name: N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Openeye Name: N-[5-[(3,5-dimethylphenyl)methyl]thiazol-2-yl]-1-benzoxepine-4-carboxamide CAS Name: N-[5-[(3,5-dimethylphenyl)methyl]-2-thiazolyl]-1-benzoxepin-4-carboxamide IUPAC Name: N-[5-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]-1-benzoxepine-4-carboxamide Traditional Name: N-[5-(3,5-dimethylbenzyl)thiazol-2-yl]-1-benzoxepin-4-carboxamide Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4OC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC2=CN=C(S2)NC(=O)C3=CC4=CC=CC=C4OC=C3)C

InChI

InChI=1S/C23H20N2O2S/c1-15-9-16(2)11-17(10-15)12-20-14-24-23(28-20)25-22(26)19-7-8-27-21-6-4-3-5-18(21)13-19/h3-11,13-14H,12H2,1-2H3,(H,24,25,26)