5-bromanyl-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H22BrClFN3O3S MolecularWeight: 626.923683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C29H22BrClFN3O3S/c30-20-9-12-26(38-14-13-18-5-2-1-3-6-18)23(16-20)28(37)35-29(39)34-21-8-4-7-19(15-21)27(36)33-22-10-11-25(32)24(31)17-22/h1-12,15-17H,13-14H2,(H,33,36)(H2,34,35,37,39)