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

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C18H11ClN4O6S MolecularWeight: 446.82114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClN4O6S/c19-13-5-4-11(9-14(13)23(27)28)20-18(30)21-17(24)16-7-6-15(29-16)10-2-1-3-12(8-10)22(25)26/h1-9H,(H2,20,21,24,30)