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

Systemtic Name: N-(phenylmethyl)-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-benzyl-4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S2/c26-20(13-12-19-7-4-14-29-19)25-22(28)24-18-10-8-17(9-11-18)21(27)23-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,23,27)(H2,24,25,26,28)/b13-12+