ethyl 4-[(4-methoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(4-methoxybenzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxybenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[p-anisoylthiocarbamoyl(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S/c1-3-31-23(29)19-6-10-20(11-7-19)27(16-17-5-4-14-25-15-17)24(32)26-22(28)18-8-12-21(30-2)13-9-18/h4-15H,3,16H2,1-2H3,(H,26,28,32)