N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-2-fluoranyl-benzamide Openeye Name: N-[(1S,2R)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2-fluoro-benzamide CAS Name: N-[(1R,2S)-1-(4-ethyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide IUPAC Name: N-[(1R,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-fluorobenzamide Traditional Name: N-[(1S,2R)-2-(4-ethylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-2-fluoro-benzamide Formula: C20H26FN3OS MolecularWeight: 375.503343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCN1CCN(CC1)[C@@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H26FN3OS/c1-3-23-10-12-24(13-11-23)19(18-9-6-14-26-18)15(2)22-20(25)16-7-4-5-8-17(16)21/h4-9,14-15,19H,3,10-13H2,1-2H3,(H,22,25)/t15-,19+/m0/s1