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

Systemtic Name: N-(oxolan-2-ylmethyl)-2-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: 2-(3-phenylpropanoylcarbamothioylamino)-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-2-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: 2-(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=C2NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

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