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

Systemtic Name: 4-tert-butyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[oxo-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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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)C(=O)NNC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S2/c1-26(2,3)19-10-6-17(7-11-19)23(32)27-20-12-8-18(9-13-20)24(33)29-30-25(34)28-22(31)15-14-21-5-4-16-35-21/h4-16H,1-3H3,(H,27,32)(H,29,33)(H2,28,30,31,34)/b15-14+