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

Systemtic Name: 1-[[2,2-dimethyl-4-(2-oxidanylidenepyrrolidin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-thiourea Openeye Name: 1-[[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethyl-thiourea CAS Name: 1-[[2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-(trifluoromethyl)-1-benzopyran-3-yl]methyl]-3-ethylthiourea IUPAC Name: 1-[[2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-6-(trifluoromethyl)chromen-3-yl]methyl]-3-ethylthiourea Traditional Name: 1-ethyl-3-[[4-(2-ketopyrrolidino)-2,2-dimethyl-6-(trifluoromethyl)chromen-3-yl]methyl]thiourea Formula: C20H24F3N3O2S MolecularWeight: 427.48367

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3CCCC3=O

Isomeric SMILES

CCNC(=S)NCC1=C(C2=C(C=CC(=C2)C(F)(F)F)OC1(C)C)N3CCCC3=O

InChI

InChI=1S/C20H24F3N3O2S/c1-4-24-18(29)25-11-14-17(26-9-5-6-16(26)27)13-10-12(20(21,22)23)7-8-15(13)28-19(14,2)3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,24,25,29)