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

Systemtic Name: N-[4-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(4-tert-butylbenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(4-tert-butylbenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C28H27N3O3S/c1-17-15-21(29-27(35)31-25(32)18-9-11-20(12-10-18)28(2,3)4)13-14-22(17)30-26(33)24-16-19-7-5-6-8-23(19)34-24/h5-16H,1-4H3,(H,30,33)(H2,29,31,32,35)