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

Systemtic Name: N-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])OC)Cl

InChI

InChI=1S/C20H16ClN3O6S/c1-28-17-10-14(18(29-2)9-13(17)21)22-20(31)23-19(25)16-7-6-15(30-16)11-4-3-5-12(8-11)24(26)27/h3-10H,1-2H3,(H2,22,23,25,31)