1-[4-(4-methoxyphenyl)butylamino]propane-2-thiol; sulfurothioic O-acid

Systemtic Name: 1-[4-(4-methoxyphenyl)butylamino]propane-2-thiol; sulfurothioic O-acid Openeye Name: 1-[4-(4-methoxyphenyl)butylamino]propane-2-thiol; sulfurothioic O-acid CAS Name: 1-[4-(4-methoxyphenyl)butylamino]-2-propanethiol; sulfurothioic O-acid IUPAC Name: 1-[4-(4-methoxyphenyl)butylamino]propane-2-thiol; sulfurothioic O-acid Traditional Name: 1-[4-(4-methoxyphenyl)butylamino]propane-2-thiol; sulfurothioic O-acid Formula: C14H25NO4S3 MolecularWeight: 367.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCCC1=CC=C(C=C1)OC)S.OS(=O)(=S)O

Isomeric SMILES

CC(CNCCCCC1=CC=C(C=C1)OC)S.OS(=O)(=S)O

InChI

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