3-(2,2-diphenylethanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-(2,2-diphenylethanoylcarbamothioylamino)-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[(2,2-diphenylacetyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[(2,2-diphenylacetyl)thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c31-25(28-18-23-15-8-16-33-23)21-13-7-14-22(17-21)29-27(34)30-26(32)24(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-7,9-14,17,23-24H,8,15-16,18H2,(H,28,31)(H2,29,30,32,34)