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

Systemtic Name: N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C27H27ClFN3O3S MolecularWeight: 528.037983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C27H27ClFN3O3S/c1-2-3-4-7-15-35-24-12-6-5-11-21(24)26(34)32-27(36)31-19-10-8-9-18(16-19)25(33)30-20-13-14-23(29)22(28)17-20/h5-6,8-14,16-17H,2-4,7,15H2,1H3,(H,30,33)(H2,31,32,34,36)