3-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[5-(4-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[[[5-(4-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[[5-(4-chlorophenyl)-2-furoyl]thiocarbamoylamino]-4-methyl-benzoic acid Formula: C20H15ClN2O4S MolecularWeight: 414.8621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O4S/c1-11-2-3-13(19(25)26)10-15(11)22-20(28)23-18(24)17-9-8-16(27-17)12-4-6-14(21)7-5-12/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)