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

Systemtic Name: 4-cyano-2-fluoranyl-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-cyano-2-fluoro-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-cyano-2-fluoro-N-[[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[[(4E)-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-cyano-2-fluoro-N-[[(4E)-3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C23H15FN4O3S MolecularWeight: 446.453603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C=C(C=C4)C#N)F)N2

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/3\C=CC(=CC3=O)NC(=S)NC(=O)C4=C(C=C(C=C4)C#N)F)/N2

InChI

InChI=1S/C23H15FN4O3S/c1-12-2-7-20-18(8-12)27-22(31-20)16-6-4-14(10-19(16)29)26-23(32)28-21(30)15-5-3-13(11-25)9-17(15)24/h2-10,27H,1H3,(H2,26,28,30,32)/b22-16+