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

Systemtic Name: 2-[4-(4-ethanoyl-3-methoxy-2-propyl-phenoxy)butylsulfanyl]benzenecarboximidamide hydrochloride Openeye Name: 2-[4-(4-acetyl-3-methoxy-2-propyl-phenoxy)butylsulfanyl]benzamidine hydrochloride CAS Name: 2-[4-(4-acetyl-3-methoxy-2-propylphenoxy)butylthio]benzenecarboximidamide hydrochloride IUPAC Name: 2-[4-(4-acetyl-3-methoxy-2-propylphenoxy)butylsulfanyl]benzenecarboximidamide hydrochloride Traditional Name: 2-[4-(4-acetyl-3-methoxy-2-propyl-phenoxy)butylthio]benzamidine hydrochloride Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S.ClH/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);1H