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

Systemtic Name: 5-(2,2-dimethylpropylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(2,2-dimethylpropylcarbamoylamino)-3-(p-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[(2,2-dimethylpropylamino)-oxomethyl]amino]-3-[(4-methylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(2,2-dimethylpropylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-[(4-methylbenzyl)thio]-5-(neopentylcarbamoylamino)isothiazole-4-carboxylic acid Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-11-5-7-12(8-6-11)9-25-15-13(16(22)23)14(26-21-15)20-17(24)19-10-18(2,3)4/h5-8H,9-10H2,1-4H3,(H,22,23)(H2,19,20,24)