4-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[3-[[(2,4-dimethylphenyl)thio]methyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[3-[[(2,4-dimethylphenyl)thio]methyl]benzoyl]amino]-3-methyl-benzoic acid Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)C

InChI

InChI=1S/C24H23NO3S/c1-15-7-10-22(17(3)11-15)29-14-18-5-4-6-19(13-18)23(26)25-21-9-8-20(24(27)28)12-16(21)2/h4-13H,14H2,1-3H3,(H,25,26)(H,27,28)