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

Systemtic Name: N-[2-methoxy-4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3-benzyloxybenzoyl)carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3-benzoxybenzoyl)thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C31H25N3O5S MolecularWeight: 551.6123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C31H25N3O5S/c1-37-27-18-23(14-15-25(27)33-30(36)28-17-21-10-5-6-13-26(21)39-28)32-31(40)34-29(35)22-11-7-12-24(16-22)38-19-20-8-3-2-4-9-20/h2-18H,19H2,1H3,(H,33,36)(H2,32,34,35,40)