1-butyl-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea

Systemtic Name: 1-butyl-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-butyl-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-butyl-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-butyl-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-butyl-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C15H15F3N2O2S MolecularWeight: 344.35201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

Isomeric SMILES

CCCCNC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

InChI

InChI=1S/C15H15F3N2O2S/c1-2-3-6-19-14(23)20-9-4-5-10-11(15(16,17)18)8-13(21)22-12(10)7-9/h4-5,7-8H,2-3,6H2,1H3,(H2,19,20,23)