N-[4-(azepan-1-yl)phenyl]-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-ethylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-esyl-1,3-benzoxazol-2-yl)thio]acetamide Formula: C23H27N3O4S2 MolecularWeight: 473.60818

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H27N3O4S2/c1-2-32(28,29)19-11-12-21-20(15-19)25-23(30-21)31-16-22(27)24-17-7-9-18(10-8-17)26-13-5-3-4-6-14-26/h7-12,15H,2-6,13-14,16H2,1H3,(H,24,27)