3-acetamido-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-5-chloranyl-4-fluoranyl-benzamide

Systemtic Name: 3-acetamido-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]methyl]-5-chloranyl-4-fluoranyl-benzamide Openeye Name: 3-acetamido-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxo-ethoxy]phenyl]methyl]-5-chloro-4-fluoro-benzamide CAS Name: 3-acetamido-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-chloro-4-fluorobenzamide IUPAC Name: 3-acetamido-N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-chloro-4-fluorobenzamide Traditional Name: 3-acetamido-N-[4-amidino-2-[2-keto-2-(methylamino)ethoxy]benzyl]-5-chloro-4-fluoro-benzamide Formula: C20H21ClFN5O4 MolecularWeight: 449.863243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)NC)Cl)F

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)NC)Cl)F

InChI

InChI=1S/C20H21ClFN5O4/c1-10(28)27-15-6-13(5-14(21)18(15)22)20(30)26-8-12-4-3-11(19(23)24)7-16(12)31-9-17(29)25-2/h3-7H,8-9H2,1-2H3,(H3,23,24)(H,25,29)(H,26,30)(H,27,28)