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

Systemtic Name: N-[3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylcarbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)carbamothioylamino]phenyl]benzofuran-2-carboxamide CAS Name: N-[3-[[[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[(3-nitro-4-pyrrolidino-benzoyl)thiocarbamoylamino]phenyl]coumarilamide Formula: C27H23N5O5S MolecularWeight: 529.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C27H23N5O5S/c33-25(18-10-11-21(22(14-18)32(35)36)31-12-3-4-13-31)30-27(38)29-20-8-5-7-19(16-20)28-26(34)24-15-17-6-1-2-9-23(17)37-24/h1-2,5-11,14-16H,3-4,12-13H2,(H,28,34)(H2,29,30,33,38)