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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]isothiourea Formula: C18H13Cl2FN2O2S MolecularWeight: 411.277423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC(=C(C=C3)F)Cl)N)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC(=NC3=CC(=C(C=C3)F)Cl)N)Cl

InChI

InChI=1S/C18H13Cl2FN2O2S/c1-9-4-16-12(7-13(9)19)10(5-17(24)25-16)8-26-18(22)23-11-2-3-15(21)14(20)6-11/h2-7H,8H2,1H3,(H2,22,23)