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

Systemtic Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-chloranyl-4-fluoranyl-benzamide Openeye Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-chloro-4-fluoro-benzamide CAS Name: N-[[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-chloro-4-fluorobenzamide IUPAC Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-chloro-4-fluorobenzamide Traditional Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-chloro-4-fluoro-benzamide Formula: C21H13ClFN3O3S MolecularWeight: 441.862623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl)O2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl)O2

InChI

InChI=1S/C21H13ClFN3O3S/c22-15-9-11(23)5-7-13(15)19(28)26-21(30)24-12-6-8-17(27)14(10-12)20-25-16-3-1-2-4-18(16)29-20/h1-10,25H,(H2,24,26,28,30)