N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]coumarilamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-27(2,3)19-13-11-17(12-14-19)24(31)28-20-8-6-9-21(16-20)29-26(34)30-25(32)23-15-18-7-4-5-10-22(18)33-23/h4-16H,1-3H3,(H,28,31)(H2,29,30,32,34)