2-[ethyl(phenyl)amino]ethyl carbamimidothioate hydrochloride

Systemtic Name: 2-[ethyl(phenyl)amino]ethyl carbamimidothioate hydrochloride Openeye Name: 2-[2-(N-ethylanilino)ethyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid 2-(N-ethylanilino)ethyl ester hydrochloride IUPAC Name: 2-(N-ethylanilino)ethyl carbamimidothioate hydrochloride Traditional Name: 2-[2-(N-ethylanilino)ethyl]isothiourea hydrochloride Formula: C11H18ClN3S MolecularWeight: 259.79872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC(=N)N)C1=CC=CC=C1.Cl

Isomeric SMILES

CCN(CCSC(=N)N)C1=CC=CC=C1.Cl

InChI

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