[2-(dimethylamino)-1-phenyl-ethyl] carbamimidothioate; sulfuric acid

Systemtic Name: [2-(dimethylamino)-1-phenyl-ethyl] carbamimidothioate; sulfuric acid Openeye Name: 2-[2-(dimethylamino)-1-phenyl-ethyl]isothiourea; sulfuric acid CAS Name: carbamimidothioic acid [2-(dimethylamino)-1-phenylethyl] ester; sulfuric acid IUPAC Name: [2-(dimethylamino)-1-phenylethyl] carbamimidothioate; sulfuric acid Traditional Name: 2-[2-(dimethylamino)-1-phenyl-ethyl]isothiourea; sulfuric acid Formula: C11H19N3O4S2 MolecularWeight: 321.41626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=CC=C1)SC(=N)N.OS(=O)(=O)O

Isomeric SMILES

CN(C)CC(C1=CC=CC=C1)SC(=N)N.OS(=O)(=O)O

InChI

InChI=1S/C11H17N3S.H2O4S/c1-14(2)8-10(15-11(12)13)9-6-4-3-5-7-9;1-5(2,3)4/h3-7,10H,8H2,1-2H3,(H3,12,13);(H2,1,2,3,4)