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

Systemtic Name: 2-azanyl-7-[4-(phenylmethyl)phenoxy]heptane-1-thiol Openeye Name: 2-amino-7-(4-benzylphenoxy)heptane-1-thiol CAS Name: 2-amino-7-[4-(phenylmethyl)phenoxy]-1-heptanethiol IUPAC Name: 2-amino-7-(4-benzylphenoxy)heptane-1-thiol Traditional Name: 2-amino-7-(4-benzylphenoxy)heptane-1-thiol Formula: C20H27NOS MolecularWeight: 329.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NOS/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