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

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(isobutylcarbamoylamino)-3-(o-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 3-[(2-methylphenyl)methylthio]-5-[[(2-methylpropylamino)-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(2-methylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(isobutylcarbamoylamino)-3-[(2-methylbenzyl)thio]isothiazole-4-carboxylic acid Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCC(C)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NSC(=C2C(=O)O)NC(=O)NCC(C)C

InChI

InChI=1S/C17H21N3O3S2/c1-10(2)8-18-17(23)19-14-13(16(21)22)15(20-25-14)24-9-12-7-5-4-6-11(12)3/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H2,18,19,23)