benzenecarboximidamide; 1-[2-methoxy-3-propyl-4-(4-sulfanylbutoxy)phenyl]ethanone; hydrochloride

Systemtic Name: benzenecarboximidamide; 1-[2-methoxy-3-propyl-4-(4-sulfanylbutoxy)phenyl]ethanone; hydrochloride Openeye Name: benzamidine; 1-[2-methoxy-3-propyl-4-(4-sulfanylbutoxy)phenyl]ethanone; hydrochloride CAS Name: benzenecarboximidamide; 1-[4-(4-mercaptobutoxy)-2-methoxy-3-propylphenyl]ethanone; hydrochloride IUPAC Name: benzenecarboximidamide; 1-[2-methoxy-3-propyl-4-(4-sulfanylbutoxy)phenyl]ethanone; hydrochloride Traditional Name: benzamidine; 1-[4-(4-mercaptobutoxy)-2-methoxy-3-propyl-phenyl]ethanone; hydrochloride Formula: C23H33ClN2O3S MolecularWeight: 453.03772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCCS.C1=CC=C(C=C1)C(=N)N.Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1OC)C(=O)C)OCCCCS.C1=CC=C(C=C1)C(=N)N.Cl

InChI

InChI=1S/C16H24O3S.C7H8N2.ClH/c1-4-7-14-15(19-10-5-6-11-20)9-8-13(12(2)17)16(14)18-3;8-7(9)6-4-2-1-3-5-6;/h8-9,20H,4-7,10-11H2,1-3H3;1-5H,(H3,8,9);1H