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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[(4-iodanyl-3,5-dimethyl-phenyl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[(4-iodo-3,5-dimethyl-phenyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[(4-iodo-3,5-dimethylanilino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[(4-iodo-3,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(4-iodo-3,5-dimethyl-phenyl)thiocarbamoyl]-2-furamide Formula: C21H18ClIN2O2S MolecularWeight: 524.80229

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C(=C3)C)I)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC(=C(C(=C3)C)I)C)Cl

InChI

InChI=1S/C21H18ClIN2O2S/c1-11-4-5-14(10-16(11)22)17-6-7-18(27-17)20(26)25-21(28)24-15-8-12(2)19(23)13(3)9-15/h4-10H,1-3H3,(H2,24,25,26,28)