[2-(4-butoxy-3-chloranyl-phenyl)-2-oxidanylidene-ethyl] carbamimidothioate hydrochloride

Systemtic Name: [2-(4-butoxy-3-chloranyl-phenyl)-2-oxidanylidene-ethyl] carbamimidothioate hydrochloride Openeye Name: 2-[2-(4-butoxy-3-chloro-phenyl)-2-oxo-ethyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [2-(4-butoxy-3-chlorophenyl)-2-oxoethyl] ester hydrochloride IUPAC Name: [2-(4-butoxy-3-chlorophenyl)-2-oxoethyl] carbamimidothioate hydrochloride Traditional Name: 2-[2-(4-butoxy-3-chloro-phenyl)-2-keto-ethyl]isothiourea hydrochloride Formula: C13H18Cl2N2O2S MolecularWeight: 337.26522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2S.ClH/c1-2-3-6-18-12-5-4-9(7-10(12)14)11(17)8-19-13(15)16;/h4-5,7H,2-3,6,8H2,1H3,(H3,15,16);1H