N-[2-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methyl-4-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C28H25N5O6S MolecularWeight: 559.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H25N5O6S/c1-17-14-20(7-8-21(17)30-27(35)25-16-18-4-2-3-5-24(18)39-25)29-28(40)31-26(34)19-6-9-22(23(15-19)33(36)37)32-10-12-38-13-11-32/h2-9,14-16H,10-13H2,1H3,(H,30,35)(H2,29,31,34,40)