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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(3-oxidanylpropylcarbamoylamino)-1,2-thiazole-4-carboxylic acid Openeye Name: 5-(3-hydroxypropylcarbamoylamino)-3-(p-tolylmethylsulfanyl)isothiazole-4-carboxylic acid CAS Name: 5-[[(3-hydroxypropylamino)-oxomethyl]amino]-3-[(4-methylphenyl)methylthio]-4-isothiazolecarboxylic acid IUPAC Name: 5-(3-hydroxypropylcarbamoylamino)-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-(3-hydroxypropylcarbamoylamino)-3-[(4-methylbenzyl)thio]isothiazole-4-carboxylic acid Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S2/c1-10-3-5-11(6-4-10)9-24-14-12(15(21)22)13(25-19-14)18-16(23)17-7-2-8-20/h3-6,20H,2,7-9H2,1H3,(H,21,22)(H2,17,18,23)