4-azanylbutyl N'-phenylcarbamimidothioate; sulfuric acid

Systemtic Name: 4-azanylbutyl N'-phenylcarbamimidothioate; sulfuric acid Openeye Name: 2-(4-aminobutyl)-3-phenyl-isothiourea; sulfuric acid CAS Name: N'-phenylcarbamimidothioic acid 4-aminobutyl ester; sulfuric acid IUPAC Name: 4-aminobutyl N'-phenylcarbamimidothioate; sulfuric acid Traditional Name: 2-(4-aminobutyl)-3-phenyl-isothiourea; sulfuric acid Formula: C11H19N3O4S2 MolecularWeight: 321.41626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCCCCN.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCCCCN.OS(=O)(=O)O

InChI

InChI=1S/C11H17N3S.H2O4S/c12-8-4-5-9-15-11(13)14-10-6-2-1-3-7-10;1-5(2,3)4/h1-3,6-7H,4-5,8-9,12H2,(H2,13,14);(H2,1,2,3,4)