5-(3-chlorophenyl)-N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(3-chlorophenyl)-N-[(2-ethyl-4-iodanyl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[(2-ethyl-4-iodo-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[(2-ethyl-4-iodoanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[(2-ethyl-4-iodophenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[(2-ethyl-4-iodo-phenyl)thiocarbamoyl]-2-furamide Formula: C20H16ClIN2O2S MolecularWeight: 510.77571

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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)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H16ClIN2O2S/c1-2-12-11-15(22)6-7-16(12)23-20(27)24-19(25)18-9-8-17(26-18)13-4-3-5-14(21)10-13/h3-11H,2H2,1H3,(H2,23,24,25,27)