N-[N'-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)carbonyl-carbamimidoyl]-4-fluoranyl-benzamide

Systemtic Name: N-[N'-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)carbonyl-carbamimidoyl]-4-fluoranyl-benzamide Openeye Name: N-[N'-(1,3-benzothiazol-2-yl)-N-(4-fluorobenzoyl)carbamimidoyl]-4-fluoro-benzamide CAS Name: N-[1,3-benzothiazol-2-ylimino-[[(4-fluorophenyl)-oxomethyl]amino]methyl]-4-fluorobenzamide IUPAC Name: N-[N'-(1,3-benzothiazol-2-yl)-N-(4-fluorobenzoyl)carbamimidoyl]-4-fluorobenzamide Traditional Name: N-[N'-(1,3-benzothiazol-2-yl)-N-(4-fluorobenzoyl)amidino]-4-fluoro-benzamide Formula: C22H14F2N4O2S MolecularWeight: 436.433966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N=C(NC(=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N=C(NC(=O)C3=CC=C(C=C3)F)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14F2N4O2S/c23-15-9-5-13(6-10-15)19(29)26-21(27-20(30)14-7-11-16(24)12-8-14)28-22-25-17-3-1-2-4-18(17)31-22/h1-12H,(H2,25,26,27,28,29,30)