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

Systemtic Name: N-(phenylmethyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-benzyl-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H19N3O2S2/c26-20(12-11-19-10-5-13-29-19)25-22(28)24-18-9-4-8-17(14-18)21(27)23-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,23,27)(H2,24,25,26,28)/b12-11+