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

Systemtic Name: N-[4-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(4-hexoxybenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(4-hexoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(4-hexoxybenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C30H31N3O4S/c1-3-4-5-8-17-36-24-14-11-21(12-15-24)28(34)33-30(38)31-23-13-16-25(20(2)18-23)32-29(35)27-19-22-9-6-7-10-26(22)37-27/h6-7,9-16,18-19H,3-5,8,17H2,1-2H3,(H,32,35)(H2,31,33,34,38)