(2S)-2-azanyl-N-[4-(3-fluoranyl-4-piperazin-1-yl-phenyl)thiophen-3-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-azanyl-N-[4-(3-fluoranyl-4-piperazin-1-yl-phenyl)thiophen-3-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-[4-(3-fluoro-4-piperazin-1-yl-phenyl)-3-thienyl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[4-[3-fluoro-4-(1-piperazinyl)phenyl]-3-thiophenyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[4-(3-fluoro-4-piperazin-1-ylphenyl)thiophen-3-yl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[4-(3-fluoro-4-piperazino-phenyl)-3-thienyl]-4-methyl-valeramide Formula: C20H27FN4OS MolecularWeight: 390.517983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CSC=C1C2=CC(=C(C=C2)N3CCNCC3)F)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CSC=C1C2=CC(=C(C=C2)N3CCNCC3)F)N

InChI

InChI=1S/C20H27FN4OS/c1-13(2)9-17(22)20(26)24-18-12-27-11-15(18)14-3-4-19(16(21)10-14)25-7-5-23-6-8-25/h3-4,10-13,17,23H,5-9,22H2,1-2H3,(H,24,26)/t17-/m0/s1