N-(oxolan-2-ylmethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(2-oxolanylmethyl)-4-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/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/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,23,27)(H2,24,25,26,29)/b13-8+