N-[4-(2,2-diphenylethanoylcarbamothioylamino)-2-methoxy-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(2,2-diphenylethanoylcarbamothioylamino)-2-methoxy-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(2,2-diphenylacetyl)carbamothioylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(2,2-diphenylacetyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(2,2-diphenylacetyl)thiocarbamoylamino]-2-methoxy-phenyl]coumarilamide Formula: C31H25N3O4S MolecularWeight: 535.6129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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