3-fluoranyl-N-[[(4E)-3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide

Systemtic Name: 3-fluoranyl-N-[[(4E)-3-oxidanylidene-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[(4E)-4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[[(4E)-3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[(4E)-3-oxo-4-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[(4E)-4-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C24H20FN3O3S MolecularWeight: 449.497303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=CC=C4)F)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=S)NC(=O)C4=CC(=CC=C4)F)/N2

InChI

InChI=1S/C24H20FN3O3S/c1-13(2)14-6-9-21-19(11-14)27-23(31-21)18-8-7-17(12-20(18)29)26-24(32)28-22(30)15-4-3-5-16(25)10-15/h3-13,27H,1-2H3,(H2,26,28,30,32)/b23-18+