1-[[2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[[2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-4-(1-oxoisoindolin-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-6-(trifluoromethyl)-1-benzopyran-3-yl]methyl]-3-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methylthiourea Traditional Name: 1-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)chromen-3-yl]methyl]-3-methyl-thiourea Formula: C23H22F3N3O2S MolecularWeight: 461.49989

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C2=C(O1)C=CC(=C2)C(F)(F)F)N3CC4=CC=CC=C4C3=O)CNC(=S)NC)C

Isomeric SMILES

CC1(C(=C(C2=C(O1)C=CC(=C2)C(F)(F)F)N3CC4=CC=CC=C4C3=O)CNC(=S)NC)C

InChI

InChI=1S/C23H22F3N3O2S/c1-22(2)17(11-28-21(32)27-3)19(29-12-13-6-4-5-7-15(13)20(29)30)16-10-14(23(24,25)26)8-9-18(16)31-22/h4-10H,11-12H2,1-3H3,(H2,27,28,32)