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

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-(p-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[(4-methylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(dimethylcarbamoylamino)-3-[(4-methylbenzyl)thio]isothiazole-4-carboxylic acid Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NSC(=C2C(=O)O)NC(=O)N(C)C

InChI

InChI=1S/C15H17N3O3S2/c1-9-4-6-10(7-5-9)8-22-13-11(14(19)20)12(23-17-13)16-15(21)18(2)3/h4-7H,8H2,1-3H3,(H,16,21)(H,19,20)