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

Systemtic Name: 5-(dimethylcarbamoylamino)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(dimethylcarbamoylamino)-3-[(2,5-dimethylphenyl)methylsulfanyl]isothiazole-4-carboxylic acid CAS Name: 5-[[dimethylamino(oxo)methyl]amino]-3-[(2,5-dimethylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(dimethylcarbamoylamino)-3-[(2,5-dimethylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-(dimethylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-9-5-6-10(2)11(7-9)8-23-14-12(15(20)21)13(24-18-14)17-16(22)19(3)4/h5-7H,8H2,1-4H3,(H,17,22)(H,20,21)