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

Systemtic Name: 3-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[(4-hexoxybenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(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=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

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