3-fluoranyl-N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-fluoranyl-N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-fluoro-N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 3-fluoro-N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-fluoro-N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-fluoro-N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H22FN3O2S/c1-14(2)16-9-10-22-21(12-16)27-24(31-22)18-8-7-15(3)20(13-18)28-25(32)29-23(30)17-5-4-6-19(26)11-17/h4-14H,1-3H3,(H2,28,29,30,32)