1-[4-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-3-propyl-phenyl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(4-acetyl-3-amino-2-propyl-phenyl)sulfanylpropoxy]-3-propyl-phenyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-[(4-acetyl-3-amino-2-propylphenyl)thio]propoxy]-3-propylphenyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(4-acetyl-3-amino-2-propylphenyl)sulfanylpropoxy]-3-propylphenyl]-2-hydroxyethanone Traditional Name: 1-[4-[3-[(4-acetyl-3-amino-2-propyl-phenyl)thio]propoxy]-3-propyl-phenyl]-2-hydroxy-ethanone Formula: C25H33NO4S MolecularWeight: 443.59882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=C(C(=C(C=C2)C(=O)C)N)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CO)OCCCSC2=C(C(=C(C=C2)C(=O)C)N)CCC

InChI

InChI=1S/C25H33NO4S/c1-4-7-19-15-18(22(29)16-27)9-11-23(19)30-13-6-14-31-24-12-10-20(17(3)28)25(26)21(24)8-5-2/h9-12,15,27H,4-8,13-14,16,26H2,1-3H3