N-(3-methoxypropyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(3-methoxypropyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3-methoxypropyl)-4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3-methoxypropyl)-4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3-methoxypropyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3-methoxypropyl)-4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C19H21N3O3S2/c1-25-12-3-11-20-18(24)14-5-7-15(8-6-14)21-19(26)22-17(23)10-9-16-4-2-13-27-16/h2,4-10,13H,3,11-12H2,1H3,(H,20,24)(H2,21,22,23,26)/b10-9+