2,6-bis(fluoranyl)-N-[3-methyl-1-oxidanylidene-1-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]butan-2-yl]benzamide

Systemtic Name: 2,6-bis(fluoranyl)-N-[3-methyl-1-oxidanylidene-1-[(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)amino]butan-2-yl]benzamide Openeye Name: 2,6-difluoro-N-[2-methyl-1-[[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]carbamoyl]propyl]benzamide CAS Name: 2,6-difluoro-N-[3-methyl-1-oxo-1-[[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]butan-2-yl]benzamide IUPAC Name: 2,6-difluoro-N-[3-methyl-1-oxo-1-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]butan-2-yl]benzamide Traditional Name: 2,6-difluoro-N-[2-methyl-1-[[2-pyrrolidino-2-(2-thienyl)ethyl]carbamoyl]propyl]benzamide Formula: C22H27F2N3O2S MolecularWeight: 435.530486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CS1)N2CCCC2)NC(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

CC(C)C(C(=O)NCC(C1=CC=CS1)N2CCCC2)NC(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C22H27F2N3O2S/c1-14(2)20(26-21(28)19-15(23)7-5-8-16(19)24)22(29)25-13-17(18-9-6-12-30-18)27-10-3-4-11-27/h5-9,12,14,17,20H,3-4,10-11,13H2,1-2H3,(H,25,29)(H,26,28)