(4-propan-2-ylphenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (4-propan-2-ylphenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(4-isopropylphenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester hydrochloride IUPAC Name: (4-propan-2-ylphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(4-isopropylbenzyl)isothiourea hydrochloride Formula: C11H17ClN2S MolecularWeight: 244.78408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2S.ClH/c1-8(2)10-5-3-9(4-6-10)7-14-11(12)13;/h3-6,8H,7H2,1-2H3,(H3,12,13);1H