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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C25H22BrClFN3O3S MolecularWeight: 578.880883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)Br

InChI

InChI=1S/C25H22BrClFN3O3S/c1-2-3-11-34-22-10-7-16(13-19(22)26)24(33)31-25(35)30-17-6-4-5-15(12-17)23(32)29-18-8-9-21(28)20(27)14-18/h4-10,12-14H,2-3,11H2,1H3,(H,29,32)(H2,30,31,33,35)