N-tert-butyl-2-[4-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]piperazino]acetamide Formula: C18H25ClFN3O2S MolecularWeight: 401.926403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H25ClFN3O2S/c1-18(2,3)21-16(24)11-22-6-8-23(9-7-22)17(25)12-26-13-4-5-15(20)14(19)10-13/h4-5,10H,6-9,11-12H2,1-3H3,(H,21,24)