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

Systemtic Name: N-(oxolan-2-ylmethyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(tetrahydrofuran-2-ylmethyl)-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(2-oxolanylmethyl)-3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(oxolan-2-ylmethyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(tetrahydrofurfuryl)-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C20H21N3O3S2/c24-18(9-8-17-7-3-11-28-17)23-20(27)22-15-5-1-4-14(12-15)19(25)21-13-16-6-2-10-26-16/h1,3-5,7-9,11-12,16H,2,6,10,13H2,(H,21,25)(H2,22,23,24,27)/b9-8+