N-[[4-(diethylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-(diethylamino)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(diethylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(diethylamino)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c1-3-25(4-2)17-10-8-16(9-11-17)23-22(31)24-21(27)20-13-12-19(30-20)15-6-5-7-18(14-15)26(28)29/h5-14H,3-4H2,1-2H3,(H2,23,24,27,31)