(4-butoxyphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-butoxyphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-butoxyphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-butoxyphenyl)methyl ester hydrochloride IUPAC Name: (4-butoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-butoxybenzyl)isothiourea hydrochloride Formula: C12H19ClN2OS MolecularWeight: 274.81006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CSC(=N)N.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C12H18N2OS.ClH/c1-2-3-8-15-11-6-4-10(5-7-11)9-16-12(13)14;/h4-7H,2-3,8-9H2,1H3,(H3,13,14);1H