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

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[5-methyl-4-(phenylsulfanylmethyl)oxazol-2-yl]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[5-methyl-4-[(phenylthio)methyl]-2-oxazolyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[5-methyl-4-[(phenylthio)methyl]oxazol-2-yl]benzamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)CSC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-20-24(19-32-23-9-5-4-6-10-23)28-26(31-20)22-13-11-21(12-14-22)25(30)27-15-18-29-16-7-2-3-8-17-29/h4-6,9-14H,2-3,7-8,15-19H2,1H3,(H,27,30)