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

Systemtic Name: N-[3-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(4-isobutoxybenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(4-isobutoxybenzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H25N3O4S/c1-17(2)16-33-22-12-10-18(11-13-22)25(31)30-27(35)29-21-8-5-7-20(15-21)28-26(32)24-14-19-6-3-4-9-23(19)34-24/h3-15,17H,16H2,1-2H3,(H,28,32)(H2,29,30,31,35)