3-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-iodanyl-benzoic acid

Systemtic Name: 3-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-iodanyl-benzoic acid Openeye Name: 3-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]carbamothioylamino]-4-iodo-benzoic acid CAS Name: 3-[[[[[5-(3-chloro-4-methylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-iodobenzoic acid IUPAC Name: 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]-4-iodobenzoic acid Traditional Name: 3-[[5-(3-chloro-4-methyl-phenyl)-2-furoyl]thiocarbamoylamino]-4-iodo-benzoic acid Formula: C20H14ClIN2O4S MolecularWeight: 540.75863

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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=C(C=CC(=C3)C(=O)O)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClIN2O4S/c1-10-2-3-11(8-13(10)21)16-6-7-17(28-16)18(25)24-20(29)23-15-9-12(19(26)27)4-5-14(15)22/h2-9H,1H3,(H,26,27)(H2,23,24,25,29)