N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N,N-diethyl-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N,N-diethyl-3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N,N-diethyl-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-3-22(4-2)18(24)14-7-5-8-15(13-14)20-19(25)21-17(23)11-10-16-9-6-12-26-16/h5-13H,3-4H2,1-2H3,(H2,20,21,23,25)/b11-10+