2-(2-chloranyl-7-methoxy-quinolin-3-yl)ethyl carbamimidothioate

Systemtic Name: 2-(2-chloranyl-7-methoxy-quinolin-3-yl)ethyl carbamimidothioate Openeye Name: 2-[2-(2-chloro-7-methoxy-3-quinolyl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(2-chloro-7-methoxy-3-quinolinyl)ethyl ester IUPAC Name: 2-(2-chloro-7-methoxyquinolin-3-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(2-chloro-7-methoxy-3-quinolyl)ethyl]isothiourea Formula: C13H14ClN3OS MolecularWeight: 295.78776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)CCSC(=N)N)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)CCSC(=N)N)Cl

InChI

InChI=1S/C13H14ClN3OS/c1-18-10-3-2-8-6-9(4-5-19-13(15)16)12(14)17-11(8)7-10/h2-3,6-7H,4-5H2,1H3,(H3,15,16)