(3R)-3-azanyl-1-[(3S)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-methyl-piperazin-1-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one

Systemtic Name: (3R)-3-azanyl-1-[(3S)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-methyl-piperazin-1-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one Openeye Name: (3R)-3-amino-1-[(3S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-methyl-piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one CAS Name: (3R)-3-amino-1-[(3S)-4-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-(2,4,5-trifluorophenyl)-1-butanone IUPAC Name: (3R)-3-amino-1-[(3S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-3-methylpiperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one Traditional Name: (3R)-3-amino-1-[(3S)-4-(2,4-dimethylthiazole-5-carbonyl)-3-methyl-piperazino]-4-(2,4,5-trifluorophenyl)butan-1-one Formula: C21H25F3N4O2S MolecularWeight: 454.50901

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=C(N=C(S2)C)C)C(=O)CC(CC3=CC(=C(C=C3F)F)F)N

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C2=C(N=C(S2)C)C)C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N

InChI

InChI=1S/C21H25F3N4O2S/c1-11-10-27(4-5-28(11)21(30)20-12(2)26-13(3)31-20)19(29)8-15(25)6-14-7-17(23)18(24)9-16(14)22/h7,9,11,15H,4-6,8,10,25H2,1-3H3/t11-,15+/m0/s1