N-[3-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(3-nitrobenzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(3-nitrobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(3-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(=CC=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(=CC=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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