4-tert-butyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C25H25N3O2S2/c1-25(2,3)18-8-6-17(7-9-18)23(30)26-19-10-12-20(13-11-19)27-24(31)28-22(29)15-14-21-5-4-16-32-21/h4-16H,1-3H3,(H,26,30)(H2,27,28,29,31)/b15-14+