N-[2-(azepan-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C20H27N3O2S/c1-15-17(16(2)25-22-15)13-26-14-20(24)21-18-9-5-6-10-19(18)23-11-7-3-4-8-12-23/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,21,24)