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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea CAS Name: N'-[2-(trifluoromethyl)phenyl]carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]isothiourea Formula: C19H15F3N2O3S MolecularWeight: 408.39421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC=CC=C3C(F)(F)F)N

InChI

InChI=1S/C19H15F3N2O3S/c1-26-12-6-7-13-11(8-17(25)27-16(13)9-12)10-28-18(23)24-15-5-3-2-4-14(15)19(20,21)22/h2-9H,10H2,1H3,(H2,23,24)