2-[4-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)butylsulfanyl]benzenecarboximidamide

Systemtic Name: 2-[4-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)butylsulfanyl]benzenecarboximidamide Openeye Name: 2-[4-(4-acetyl-3-methoxy-2-propyl-phenoxy)butylsulfanyl]benzamidine CAS Name: 2-[4-(4-acetyl-3-methoxy-2-propylphenoxy)butylthio]benzenecarboximidamide IUPAC Name: 2-[4-(4-acetyl-3-methoxy-2-propylphenoxy)butylsulfanyl]benzenecarboximidamide Traditional Name: 2-[4-(4-acetyl-3-methoxy-2-propyl-phenoxy)butylthio]benzamidine Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCCSC2=CC=CC=C2C(=N)N

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCCSC2=CC=CC=C2C(=N)N

InChI

InChI=1S/C23H30N2O3S/c1-4-9-18-20(13-12-17(16(2)26)22(18)27-3)28-14-7-8-15-29-21-11-6-5-10-19(21)23(24)25/h5-6,10-13H,4,7-9,14-15H2,1-3H3,(H3,24,25)