2-azanyl-7-[4-(phenylmethyl)phenoxy]heptane-1-thiol hydrochloride

Systemtic Name: 2-azanyl-7-[4-(phenylmethyl)phenoxy]heptane-1-thiol hydrochloride Openeye Name: 2-amino-7-(4-benzylphenoxy)heptane-1-thiol hydrochloride CAS Name: 2-amino-7-[4-(phenylmethyl)phenoxy]-1-heptanethiol hydrochloride IUPAC Name: 2-amino-7-(4-benzylphenoxy)heptane-1-thiol hydrochloride Traditional Name: 2-amino-7-(4-benzylphenoxy)heptane-1-thiol hydrochloride Formula: C20H28ClNOS MolecularWeight: 365.96042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCCCCC(CS)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCCCCCC(CS)N.Cl

InChI

InChI=1S/C20H27NOS.ClH/c21-19(16-23)9-5-2-6-14-22-20-12-10-18(11-13-20)15-17-7-3-1-4-8-17;/h1,3-4,7-8,10-13,19,23H,2,5-6,9,14-16,21H2;1H