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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(5-methyl-3-isoxazolyl)methylthio]benzamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-methylisoxazol-3-yl)methylthio]benzamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C24H27N3O2S/c1-18-16-20(26-29-18)17-30-23-9-5-4-8-22(23)24(28)25-19-10-12-21(13-11-19)27-14-6-2-3-7-15-27/h4-5,8-13,16H,2-3,6-7,14-15,17H2,1H3,(H,25,28)