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

Systemtic Name: 3-[(3-butoxyphenyl)carbonylcarbamothioylamino]-N-(3-chloranyl-4-fluoranyl-phenyl)benzamide Openeye Name: 3-[(3-butoxybenzoyl)carbamothioylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide CAS Name: 3-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide IUPAC Name: 3-[(3-butoxybenzoyl)carbamothioylamino]-N-(3-chloro-4-fluorophenyl)benzamide Traditional Name: 3-[(3-butoxybenzoyl)thiocarbamoylamino]-N-(3-chloro-4-fluoro-phenyl)benzamide Formula: C25H23ClFN3O3S MolecularWeight: 499.984823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClFN3O3S/c1-2-3-12-33-20-9-5-7-17(14-20)24(32)30-25(34)29-18-8-4-6-16(13-18)23(31)28-19-10-11-22(27)21(26)15-19/h4-11,13-15H,2-3,12H2,1H3,(H,28,31)(H2,29,30,32,34)