2-[[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(p-tolylsulfanylmethyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[[[4-[[(4-methylphenyl)thio]methyl]-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[(p-tolylthio)methyl]thiazol-2-yl]carbamoyl]benzoic acid Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CSC(=N2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H16N2O3S2/c1-12-6-8-14(9-7-12)25-10-13-11-26-19(20-13)21-17(22)15-4-2-3-5-16(15)18(23)24/h2-9,11H,10H2,1H3,(H,23,24)(H,20,21,22)