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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-methoxybenzoyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxybenzoyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[m-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(=CC=C3)OC

Isomeric SMILES

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

InChI

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