N-[2-methyl-4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methyl-4-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3-isobutoxybenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3-isobutoxybenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-17(2)16-34-22-9-6-8-20(14-22)26(32)31-28(36)29-21-11-12-23(18(3)13-21)30-27(33)25-15-19-7-4-5-10-24(19)35-25/h4-15,17H,16H2,1-3H3,(H,30,33)(H2,29,31,32,36)