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

Systemtic Name: N-[3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(4-morpholino-3-nitro-benzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(4-morpholino-3-nitro-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C27H23N5O6S MolecularWeight: 545.56642

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O6S/c33-25(18-8-9-21(22(14-18)32(35)36)31-10-12-37-13-11-31)30-27(39)29-20-6-3-5-19(16-20)28-26(34)24-15-17-4-1-2-7-23(17)38-24/h1-9,14-16H,10-13H2,(H,28,34)(H2,29,30,33,39)