N-[[(2R)-oxolan-2-yl]methyl]-4-(3-phenylpropanoylcarbamothioylamino)benzamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(3-phenylpropanoylcarbamothioylamino)benzamide Openeye Name: 4-(3-phenylpropanoylcarbamothioylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(3-phenylpropanoylcarbamothioylamino)benzamide Traditional Name: 4-(hydrocinnamoylthiocarbamoylamino)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c26-20(13-8-16-5-2-1-3-6-16)25-22(29)24-18-11-9-17(10-12-18)21(27)23-15-19-7-4-14-28-19/h1-3,5-6,9-12,19H,4,7-8,13-15H2,(H,23,27)(H2,24,25,26,29)/t19-/m1/s1