2-azanylethyl N'-(4-hydroxyphenyl)carbamimidothioate; sulfuric acid

Systemtic Name: 2-azanylethyl N'-(4-hydroxyphenyl)carbamimidothioate; sulfuric acid Openeye Name: 2-(2-aminoethyl)-3-(4-hydroxyphenyl)isothiourea; sulfuric acid CAS Name: N'-(4-hydroxyphenyl)carbamimidothioic acid 2-aminoethyl ester; sulfuric acid IUPAC Name: 2-aminoethyl N'-(4-hydroxyphenyl)carbamimidothioate; sulfuric acid Traditional Name: 2-(2-aminoethyl)-3-(4-hydroxyphenyl)isothiourea; sulfuric acid Formula: C9H15N3O5S2 MolecularWeight: 309.3625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(N)SCCN)O.OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=C(N)SCCN)O.OS(=O)(=O)O

InChI

InChI=1S/C9H13N3OS.H2O4S/c10-5-6-14-9(11)12-7-1-3-8(13)4-2-7;1-5(2,3)4/h1-4,13H,5-6,10H2,(H2,11,12);(H2,1,2,3,4)