(4-pentoxyphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-pentoxyphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-pentoxyphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-pentoxyphenyl)methyl ester hydrochloride IUPAC Name: (4-pentoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-amoxybenzyl)isothiourea hydrochloride Formula: C13H21ClN2OS MolecularWeight: 288.83664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSC(=N)N.Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C13H20N2OS.ClH/c1-2-3-4-9-16-12-7-5-11(6-8-12)10-17-13(14)15;/h5-8H,2-4,9-10H2,1H3,(H3,14,15);1H