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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C28H27N3O4S/c1-3-4-14-34-22-10-7-9-20(16-22)26(32)31-28(36)29-21-12-13-23(18(2)15-21)30-27(33)25-17-19-8-5-6-11-24(19)35-25/h5-13,15-17H,3-4,14H2,1-2H3,(H,30,33)(H2,29,31,32,36)