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

Systemtic Name: N-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C26H25ClFN3O3S MolecularWeight: 514.011403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C26H25ClFN3O3S/c1-2-3-6-14-34-23-11-5-4-10-20(23)25(33)31-26(35)30-18-9-7-8-17(15-18)24(32)29-19-12-13-22(28)21(27)16-19/h4-5,7-13,15-16H,2-3,6,14H2,1H3,(H,29,32)(H2,30,31,33,35)