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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-keto-7-methoxy-chromen-4-yl)methyl]isothiourea Formula: C18H14ClFN2O3S MolecularWeight: 392.831763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C18H14ClFN2O3S/c1-24-12-3-4-13-10(6-17(23)25-16(13)8-12)9-26-18(21)22-11-2-5-15(20)14(19)7-11/h2-8H,9H2,1H3,(H2,21,22)