4-[[4-azanyl-5-[2,6-bis(fluoranyl)phenyl]carbonyl-1,3-thiazol-2-yl]amino]-N-(3-azanyl-3-oxidanylidene-propyl)benzamide

Systemtic Name: 4-[[4-azanyl-5-[2,6-bis(fluoranyl)phenyl]carbonyl-1,3-thiazol-2-yl]amino]-N-(3-azanyl-3-oxidanylidene-propyl)benzamide Openeye Name: 4-[[4-amino-5-(2,6-difluorobenzoyl)thiazol-2-yl]amino]-N-(3-amino-3-oxo-propyl)benzamide CAS Name: 4-[[4-amino-5-[(2,6-difluorophenyl)-oxomethyl]-2-thiazolyl]amino]-N-(3-amino-3-oxopropyl)benzamide IUPAC Name: 4-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-(3-amino-3-oxopropyl)benzamide Traditional Name: 4-[[4-amino-5-(2,6-difluorobenzoyl)thiazol-2-yl]amino]-N-(3-amino-3-keto-propyl)benzamide Formula: C20H17F2N5O3S MolecularWeight: 445.442486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)NCCC(=O)N)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)C(=O)NCCC(=O)N)N)F

InChI

InChI=1S/C20H17F2N5O3S/c21-12-2-1-3-13(22)15(12)16(29)17-18(24)27-20(31-17)26-11-6-4-10(5-7-11)19(30)25-9-8-14(23)28/h1-7H,8-9,24H2,(H2,23,28)(H,25,30)(H,26,27)