4-[[3-(3-oxidanylpyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide

Systemtic Name: 4-[[3-(3-oxidanylpyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide Openeye Name: 4-[[3-(3-hydroxypyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide CAS Name: 4-[[[3-(3-hydroxy-1-pyrrolidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: 4-[[3-(3-hydroxypyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]carbamothioylamino]benzamide Traditional Name: 4-[[3-(3-hydroxypyrrolidino)-5-(trifluoromethyl)phenyl]thiocarbamoylamino]benzamide Formula: C19H19F3N4O2S MolecularWeight: 424.43997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1O)C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CN(CC1O)C2=CC(=CC(=C2)C(F)(F)F)NC(=S)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H19F3N4O2S/c20-19(21,22)12-7-14(9-15(8-12)26-6-5-16(27)10-26)25-18(29)24-13-3-1-11(2-4-13)17(23)28/h1-4,7-9,16,27H,5-6,10H2,(H2,23,28)(H2,24,25,29)