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

Systemtic Name: 5-(3-methylbutan-2-ylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(1,2-dimethylpropylcarbamoylamino)-3-(p-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[(3-methylbutan-2-ylamino)-oxomethyl]amino]-3-[(4-methylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(3-methylbutan-2-ylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(1,2-dimethylpropylcarbamoylamino)-3-[(4-methylbenzyl)thio]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)NC(C)C(C)C

Isomeric SMILES

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

InChI

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