N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-fluoro-benzamide Formula: C23H18FN3O3S MolecularWeight: 435.470723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)F)N2

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=C(C=C4)F)N2

InChI

InChI=1S/C23H18FN3O3S/c1-12-9-18-20(10-13(12)2)30-22(26-18)17-8-7-16(11-19(17)28)25-23(31)27-21(29)14-3-5-15(24)6-4-14/h3-11,26H,1-2H3,(H2,25,27,29,31)