ethyl 4-[[(4-methylphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(4-methylphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[p-tolylmethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(4-methylphenyl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-methylphenyl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[(4-methylbenzyl)-(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C)CC3=CN=CC=C3

InChI

InChI=1S/C24H25N3O2S/c1-3-29-23(28)21-10-12-22(13-11-21)26-24(30)27(17-20-5-4-14-25-15-20)16-19-8-6-18(2)7-9-19/h4-15H,3,16-17H2,1-2H3,(H,26,30)