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

Systemtic Name: N-[3-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[[3-nitro-4-(1-piperidyl)benzoyl]carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(3-nitro-4-piperidin-1-ylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(3-nitro-4-piperidino-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C28H25N5O5S MolecularWeight: 543.5936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=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

C1CCN(CC1)C2=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/C28H25N5O5S/c34-26(19-11-12-22(23(15-19)33(36)37)32-13-4-1-5-14-32)31-28(39)30-21-9-6-8-20(17-21)29-27(35)25-16-18-7-2-3-10-24(18)38-25/h2-3,6-12,15-17H,1,4-5,13-14H2,(H,29,35)(H2,30,31,34,39)