N-(oxolan-2-ylmethyl)-2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-2-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5S/c32-26(20-8-6-11-22(18-20)36-17-16-35-21-9-2-1-3-10-21)31-28(37)30-25-14-5-4-13-24(25)27(33)29-19-23-12-7-15-34-23/h1-6,8-11,13-14,18,23H,7,12,15-17,19H2,(H,29,33)(H2,30,31,32,37)