(2S)-2-azanyl-N-[4-(2-fluoranyl-4-piperazin-1-yl-phenyl)-3-methyl-1,2-thiazol-5-yl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-azanyl-N-[4-(2-fluoranyl-4-piperazin-1-yl-phenyl)-3-methyl-1,2-thiazol-5-yl]-4-methyl-pentanamide Openeye Name: (2S)-2-amino-N-[4-(2-fluoro-4-piperazin-1-yl-phenyl)-3-methyl-isothiazol-5-yl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[4-[2-fluoro-4-(1-piperazinyl)phenyl]-3-methyl-5-isothiazolyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[4-(2-fluoro-4-piperazin-1-ylphenyl)-3-methyl-1,2-thiazol-5-yl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[4-(2-fluoro-4-piperazino-phenyl)-3-methyl-isothiazol-5-yl]-4-methyl-valeramide Formula: C20H28FN5OS MolecularWeight: 405.532623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C2=C(C=C(C=C2)N3CCNCC3)F)NC(=O)C(CC(C)C)N

Isomeric SMILES

CC1=NSC(=C1C2=C(C=C(C=C2)N3CCNCC3)F)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C20H28FN5OS/c1-12(2)10-17(22)19(27)24-20-18(13(3)25-28-20)15-5-4-14(11-16(15)21)26-8-6-23-7-9-26/h4-5,11-12,17,23H,6-10,22H2,1-3H3,(H,24,27)/t17-/m0/s1