N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-ethyl-4-iodophenyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2-ethyl-4-iodo-phenyl)thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C20H16IN3O4S MolecularWeight: 521.32821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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