methyl 3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[(4-methylphenyl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-(p-tolylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 3-[[[4-[[(4-methylphenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[(p-tolylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S/c1-16-6-12-21(13-7-16)28-15-17-8-10-18(11-9-17)22(25)24-20-5-3-4-19(14-20)23(26)27-2/h3-14H,15H2,1-2H3,(H,24,25)