N-(oxolan-2-ylmethyl)-3-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-3-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: 3-(3-phenylpropanoylcarbamothioylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: 3-(hydrocinnamoylthiocarbamoylamino)-N-(tetrahydrofurfuryl)benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c26-20(12-11-16-6-2-1-3-7-16)25-22(29)24-18-9-4-8-17(14-18)21(27)23-15-19-10-5-13-28-19/h1-4,6-9,14,19H,5,10-13,15H2,(H,23,27)(H2,24,25,26,29)