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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-p-phenetyl-2-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C23H21N3O3S2/c1-2-29-17-11-9-16(10-12-17)24-22(28)19-7-3-4-8-20(19)25-23(30)26-21(27)14-13-18-6-5-15-31-18/h3-15H,2H2,1H3,(H,24,28)(H2,25,26,27,30)/b14-13+