1-(3,5-dimethoxyphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-(3,5-dimethoxyphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(3,5-dimethoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(3,5-dimethoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(3,5-dimethoxyphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(3,5-dimethoxyphenyl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C19H15F3N2O4S MolecularWeight: 424.39361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)OC

InChI

InChI=1S/C19H15F3N2O4S/c1-26-12-5-11(6-13(8-12)27-2)24-18(29)23-10-3-4-14-15(19(20,21)22)9-17(25)28-16(14)7-10/h3-9H,1-2H3,(H2,23,24,29)