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

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)thiocarbamoylamino]phenyl]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)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

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