(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]isothiourea Formula: C19H16ClFN2O2S MolecularWeight: 390.858943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=C(C=C3)F)Cl)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=C(C=C3)F)Cl)N)C

InChI

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