5-[(3-fluorophenyl)methylcarbamoylamino]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[(3-fluorophenyl)methylcarbamoylamino]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[(3-fluorophenyl)methylcarbamoylamino]-3-(p-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[[(3-fluorophenyl)methylamino]-oxomethyl]amino]-3-[(4-methylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-[(3-fluorophenyl)methylcarbamoylamino]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[(3-fluorobenzyl)carbamoylamino]-3-[(4-methylbenzyl)thio]isothiazole-4-carboxylic acid Formula: C20H18FN3O3S2 MolecularWeight: 431.503623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)NCC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C20H18FN3O3S2/c1-12-5-7-13(8-6-12)11-28-18-16(19(25)26)17(29-24-18)23-20(27)22-10-14-3-2-4-15(21)9-14/h2-9H,10-11H2,1H3,(H,25,26)(H2,22,23,27)