methyl 2-[[(4-methylphenyl)methyl-(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(4-methylphenyl)methyl-(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[p-tolylmethyl(2-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(4-methylphenyl)methyl-(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(4-methylphenyl)methyl-(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(4-methylbenzyl)-(2-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H23N3O2S/c1-17-10-12-18(13-11-17)15-26(16-19-7-5-6-14-24-19)23(29)25-21-9-4-3-8-20(21)22(27)28-2/h3-14H,15-16H2,1-2H3,(H,25,29)