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

Systemtic Name: N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4-iodo-3,5-dimethyl-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[(4-iodo-3,5-dimethylanilino)-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4-iodo-3,5-dimethyl-phenyl)thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C20H16IN3O4S MolecularWeight: 521.32821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1I)C)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H16IN3O4S/c1-11-9-13(10-12(2)18(11)21)22-20(29)23-19(25)17-8-7-16(28-17)14-5-3-4-6-15(14)24(26)27/h3-10H,1-2H3,(H2,22,23,25,29)