4-azanyl-5-[2,6-bis(fluoranyl)phenyl]carbonyl-1-methyl-3-phenyl-3-(1,3-thiazol-2-ylamino)piperazin-2-one

Systemtic Name: 4-azanyl-5-[2,6-bis(fluoranyl)phenyl]carbonyl-1-methyl-3-phenyl-3-(1,3-thiazol-2-ylamino)piperazin-2-one Openeye Name: 4-amino-5-(2,6-difluorobenzoyl)-1-methyl-3-phenyl-3-(thiazol-2-ylamino)piperazin-2-one CAS Name: 4-amino-5-[(2,6-difluorophenyl)-oxomethyl]-1-methyl-3-phenyl-3-(2-thiazolylamino)-2-piperazinone IUPAC Name: 4-amino-5-(2,6-difluorobenzoyl)-1-methyl-3-phenyl-3-(1,3-thiazol-2-ylamino)piperazin-2-one Traditional Name: 4-amino-5-(2,6-difluorobenzoyl)-1-methyl-3-phenyl-3-(thiazol-2-ylamino)piperazin-2-one Formula: C21H19F2N5O2S MolecularWeight: 443.469666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(N(C(C1=O)(C2=CC=CC=C2)NC3=NC=CS3)N)C(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

CN1CC(N(C(C1=O)(C2=CC=CC=C2)NC3=NC=CS3)N)C(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C21H19F2N5O2S/c1-27-12-16(18(29)17-14(22)8-5-9-15(17)23)28(24)21(19(27)30,13-6-3-2-4-7-13)26-20-25-10-11-31-20/h2-11,16H,12,24H2,1H3,(H,25,26)