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

Systemtic Name: 1-(4-butylphenyl)-3-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[2-oxo-4-(trifluoromethyl)chromen-7-yl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-keto-4-(trifluoromethyl)chromen-7-yl]thiourea Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2S/c1-2-3-4-13-5-7-14(8-6-13)25-20(29)26-15-9-10-16-17(21(22,23)24)12-19(27)28-18(16)11-15/h5-12H,2-4H2,1H3,(H2,25,26,29)