3-fluoranyl-N-[[2-[(3-fluorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide

Systemtic Name: 3-fluoranyl-N-[[2-[(3-fluorophenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[2-[(3-fluorobenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[[2-[[[[(3-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[2-[(3-fluorobenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[2-[(3-fluorobenzoyl)thiocarbamoylamino]-1,3-benzothiazol-6-yl]thiocarbamoyl]benzamide Formula: C23H15F2N5O2S3 MolecularWeight: 527.589306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H15F2N5O2S3/c24-14-5-1-3-12(9-14)19(31)28-21(33)26-16-7-8-17-18(11-16)35-23(27-17)30-22(34)29-20(32)13-4-2-6-15(25)10-13/h1-11H,(H2,26,28,31,33)(H2,27,29,30,32,34)