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

Systemtic Name: 4-[(4-butoxyphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(4-butoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[[(4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(4-butoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(4-butoxybenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C26H24F3N3O3S MolecularWeight: 515.54727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24F3N3O3S/c1-2-3-15-35-22-13-9-18(10-14-22)24(34)32-25(36)31-20-11-7-17(8-12-20)23(33)30-21-6-4-5-19(16-21)26(27,28)29/h4-14,16H,2-3,15H2,1H3,(H,30,33)(H2,31,32,34,36)