5-(2-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(2-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(2-nitrophenyl)-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2-nitrophenyl)-N-[(4-pyrrolidinophenyl)thiocarbamoyl]-2-furamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c27-21(20-12-11-19(30-20)17-5-1-2-6-18(17)26(28)29)24-22(31)23-15-7-9-16(10-8-15)25-13-3-4-14-25/h1-2,5-12H,3-4,13-14H2,(H2,23,24,27,31)