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

Systemtic Name: 1-[[2,2-dimethyl-4-(3-oxidanylidene-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-4-(1-oxoisoindolin-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-6-(trifluoromethyl)-1-benzopyran-3-yl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-4-(3-oxo-1H-isoindol-2-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 3-ethyl-1-[[4-(1-ketoisoindolin-2-yl)-2,2-dimethyl-6-(trifluoromethyl)chromen-3-yl]methyl]-1-methyl-thiourea Formula: C25H26F3N3O2S MolecularWeight: 489.55305

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H26F3N3O2S/c1-5-29-23(34)30(4)14-19-21(31-13-15-8-6-7-9-17(15)22(31)32)18-12-16(25(26,27)28)10-11-20(18)33-24(19,2)3/h6-12H,5,13-14H2,1-4H3,(H,29,34)