N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/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/h1-5,7-8,10-13,17H,6,9,14-15H2,(H,23,27)(H2,24,25,26,29)/b13-12+