N-(1-phenylethyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

Systemtic Name: N-(1-phenylethyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(1-phenylethyl)-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-(1-phenylethyl)benzamide IUPAC Name: N-(1-phenylethyl)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(1-phenylethyl)-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S2/c1-16(17-7-3-2-4-8-17)24-22(28)18-9-5-10-19(15-18)25-23(29)26-21(27)13-12-20-11-6-14-30-20/h2-16H,1H3,(H,24,28)(H2,25,26,27,29)/b13-12+