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

Systemtic Name: 4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-[(4-hexoxybenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C28H28F3N3O3S MolecularWeight: 543.60043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C28H28F3N3O3S/c1-2-3-4-5-17-37-24-15-11-20(12-16-24)26(36)34-27(38)33-22-13-9-19(10-14-22)25(35)32-23-8-6-7-21(18-23)28(29,30)31/h6-16,18H,2-5,17H2,1H3,(H,32,35)(H2,33,34,36,38)