N-[2-(4-bromophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide

Systemtic Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide Openeye Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzamide CAS Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzamide IUPAC Name: N-[2-(4-bromophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide Traditional Name: N-[2-[(4-bromophenyl)thio]ethyl]-3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzamide Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-14-20(15(2)27-24-14)13-26-18-5-3-4-16(12-18)21(25)23-10-11-28-19-8-6-17(22)7-9-19/h3-9,12H,10-11,13H2,1-2H3,(H,23,25)