N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[[(E)-3-p-cumenylacryloyl]thiocarbamoylamino]phenyl]coumarilamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C28H25N3O3S/c1-18(2)20-13-10-19(11-14-20)12-15-26(32)31-28(35)30-23-8-5-7-22(17-23)29-27(33)25-16-21-6-3-4-9-24(21)34-25/h3-18H,1-2H3,(H,29,33)(H2,30,31,32,35)/b15-12+