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

Systemtic Name: N-[4-[(2-nitrophenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[(2-nitrobenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[(2-nitrobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[(2-nitrobenzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C23H16N4O5S MolecularWeight: 460.46194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O5S/c28-21(17-6-2-3-7-18(17)27(30)31)26-23(33)25-16-11-9-15(10-12-16)24-22(29)20-13-14-5-1-4-8-19(14)32-20/h1-13H,(H,24,29)(H2,25,26,28,33)