(4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-3-(2-furylmethyl)isothiourea hydrochloride CAS Name: N'-(2-furanylmethyl)carbamimidothioic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester hydrochloride IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl N'-(furan-2-ylmethyl)carbamimidothioate hydrochloride Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzyl)-3-(2-furfuryl)isothiourea hydrochloride Formula: C19H27ClN2OS MolecularWeight: 366.94848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(=NCC2=CC=CO2)N)C)C(C)(C)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1CSC(=NCC2=CC=CO2)N)C)C(C)(C)C.Cl

InChI

InChI=1S/C19H26N2OS.ClH/c1-13-9-15(19(3,4)5)10-14(2)17(13)12-23-18(20)21-11-16-7-6-8-22-16;/h6-10H,11-12H2,1-5H3,(H2,20,21);1H