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

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

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