2-butoxy-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-butoxy-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 2-butoxy-N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-butoxy-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C25H23ClFN3O3S MolecularWeight: 499.984823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C25H23ClFN3O3S/c1-2-3-13-33-22-10-5-4-9-19(22)24(32)30-25(34)29-17-8-6-7-16(14-17)23(31)28-18-11-12-21(27)20(26)15-18/h4-12,14-15H,2-3,13H2,1H3,(H,28,31)(H2,29,30,32,34)