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

Systemtic Name: [2-(4-butoxy-3-chloranyl-phenyl)-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-[2-(4-butoxy-3-chloro-phenyl)-2-oxo-ethyl]isothiourea CAS Name: carbamimidothioic acid [2-(4-butoxy-3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butoxy-3-chlorophenyl)-2-oxoethyl] carbamimidothioate Traditional Name: 2-[2-(4-butoxy-3-chloro-phenyl)-2-keto-ethyl]isothiourea Formula: C13H17ClN2O2S MolecularWeight: 300.80428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2S/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)