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

Systemtic Name: 2-fluoranyl-N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 2-fluoro-N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 2-fluoro-N-[[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-fluoro-N-[[(4E)-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 2-fluoro-N-[[(4E)-3-keto-4-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4F)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4F)/O2

InChI

InChI=1S/C22H16FN3O3S/c1-12-6-9-17-19(10-12)29-21(25-17)15-8-7-13(11-18(15)27)24-22(30)26-20(28)14-4-2-3-5-16(14)23/h2-11,25H,1H3,(H2,24,26,28,30)/b21-15+