N-(oxolan-2-ylmethyl)-3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: 3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 3-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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