3-[4-(4-methoxyphenyl)butylamino]propane-1-thiol; sulfurothioic O-acid

Systemtic Name: 3-[4-(4-methoxyphenyl)butylamino]propane-1-thiol; sulfurothioic O-acid Openeye Name: 3-[4-(4-methoxyphenyl)butylamino]propane-1-thiol; sulfurothioic O-acid CAS Name: 3-[4-(4-methoxyphenyl)butylamino]-1-propanethiol; sulfurothioic O-acid IUPAC Name: 3-[4-(4-methoxyphenyl)butylamino]propane-1-thiol; sulfurothioic O-acid Traditional Name: 3-[4-(4-methoxyphenyl)butylamino]propane-1-thiol; sulfurothioic O-acid Formula: C14H25NO4S3 MolecularWeight: 367.5476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCNCCCS.OS(=O)(=S)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCNCCCS.OS(=O)(=S)O

InChI

InChI=1S/C14H23NOS.H2O3S2/c1-16-14-8-6-13(7-9-14)5-2-3-10-15-11-4-12-17;1-5(2,3)4/h6-9,15,17H,2-5,10-12H2,1H3;(H2,1,2,3,4)