(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C19H16ClFN2O2S MolecularWeight: 390.858943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C19H16ClFN2O2S/c1-2-11-3-5-14-12(8-18(24)25-17(14)7-11)10-26-19(22)23-13-4-6-16(21)15(20)9-13/h3-9H,2,10H2,1H3,(H2,22,23)