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

Systemtic Name: N-[2-methyl-4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(3-benzyloxybenzoyl)carbamothioylamino]-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[(3-phenylmethoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(3-benzoxybenzoyl)thiocarbamoylamino]-2-methyl-phenyl]coumarilamide Formula: C31H25N3O4S MolecularWeight: 535.6129

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C31H25N3O4S/c1-20-16-24(14-15-26(20)33-30(36)28-18-22-10-5-6-13-27(22)38-28)32-31(39)34-29(35)23-11-7-12-25(17-23)37-19-21-8-3-2-4-9-21/h2-18H,19H2,1H3,(H,33,36)(H2,32,34,35,39)