methyl 2-[[2-methyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-methyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[3-[(2-benzylsulfanylacetyl)amino]-2-methyl-benzoyl]amino]benzoate CAS Name: 2-[[[2-methyl-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzoyl]amino]benzoate Traditional Name: 2-[[3-[[2-(benzylthio)acetyl]amino]-2-methyl-benzoyl]amino]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H24N2O4S/c1-17-19(24(29)27-22-13-7-6-11-20(22)25(30)31-2)12-8-14-21(17)26-23(28)16-32-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3,(H,26,28)(H,27,29)