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

Systemtic Name: 2-chloranyl-4-fluoranyl-N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 2-chloro-4-fluoro-N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 2-chloro-4-fluoro-N-[[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-fluoro-N-[[3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 2-chloro-4-fluoro-N-[[4-keto-3-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C22H15ClFN3O3S MolecularWeight: 455.889203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClFN3O3S/c1-11-2-7-19-17(8-11)26-21(30-19)15-10-13(4-6-18(15)28)25-22(31)27-20(29)14-5-3-12(24)9-16(14)23/h2-10,26H,1H3,(H2,25,27,29,31)