2-azanylethyl N'-ethylcarbamimidothioate; ethanoic acid

Systemtic Name: 2-azanylethyl N'-ethylcarbamimidothioate; ethanoic acid Openeye Name: acetic acid; 2-(2-aminoethyl)-3-ethyl-isothiourea CAS Name: acetic acid; N'-ethylcarbamimidothioic acid 2-aminoethyl ester IUPAC Name: acetic acid; 2-aminoethyl N'-ethylcarbamimidothioate Traditional Name: acetic acid; 2-(2-aminoethyl)-3-ethyl-isothiourea Formula: C9H21N3O4S MolecularWeight: 267.34574

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N)SCCN.CC(=O)O.CC(=O)O

Isomeric SMILES

CCN=C(N)SCCN.CC(=O)O.CC(=O)O

InChI

InChI=1S/C5H13N3S.2C2H4O2/c1-2-8-5(7)9-4-3-6;2*1-2(3)4/h2-4,6H2,1H3,(H2,7,8);2*1H3,(H,3,4)