(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C20H17F3N2O2S MolecularWeight: 406.42139

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

InChI

InChI=1S/C20H17F3N2O2S/c1-2-12-7-8-14-13(10-18(26)27-17(14)9-12)11-28-19(24)25-16-6-4-3-5-15(16)20(21,22)23/h3-10H,2,11H2,1H3,(H2,24,25)