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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=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=C(C=C2)OCC3=CC=CC=C3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

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