N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[(4-pentoxybenzoyl)carbamothioylamino]benzamide Traditional Name: 3-[(4-amoxybenzoyl)thiocarbamoylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C26H25ClFN3O3S MolecularWeight: 514.011403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C26H25ClFN3O3S/c1-2-3-4-14-34-21-11-8-17(9-12-21)24(32)31-26(35)30-19-7-5-6-18(15-19)25(33)29-20-10-13-23(28)22(27)16-20/h5-13,15-16H,2-4,14H2,1H3,(H,29,33)(H2,30,31,32,35)