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

Systemtic Name: 1-[[2,2-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-(trifluoromethyl)-1-benzopyran-3-yl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 3-ethyl-1-[[4-(2-ketopyrrolidino)-2,2-dimethyl-6-(trifluoromethyl)chromen-3-yl]methyl]-1-methyl-thiourea Formula: C21H26F3N3O2S MolecularWeight: 441.51025

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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)N3CCCC3=O

Isomeric SMILES

CCNC(=S)N(C)CC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3CCCC3=O

InChI

InChI=1S/C21H26F3N3O2S/c1-5-25-19(30)26(4)12-15-18(27-10-6-7-17(27)28)14-11-13(21(22,23)24)8-9-16(14)29-20(15,2)3/h8-9,11H,5-7,10,12H2,1-4H3,(H,25,30)