2-azanylethyl N'-(3-chlorophenyl)carbamimidothioate; sulfuric acid

Systemtic Name: 2-azanylethyl N'-(3-chlorophenyl)carbamimidothioate; sulfuric acid Openeye Name: 2-(2-aminoethyl)-3-(3-chlorophenyl)isothiourea; sulfuric acid CAS Name: N'-(3-chlorophenyl)carbamimidothioic acid 2-aminoethyl ester; sulfuric acid IUPAC Name: 2-aminoethyl N'-(3-chlorophenyl)carbamimidothioate; sulfuric acid Traditional Name: 2-(2-aminoethyl)-3-(3-chlorophenyl)isothiourea; sulfuric acid Formula: C9H14ClN3O4S2 MolecularWeight: 327.80816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12ClN3S.H2O4S/c10-7-2-1-3-8(6-7)13-9(12)14-5-4-11;1-5(2,3)4/h1-3,6H,4-5,11H2,(H2,12,13);(H2,1,2,3,4)