ethyl 4-[pyridin-3-ylmethyl-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[pyridin-3-ylmethyl-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]amino]benzoate Openeye Name: ethyl 4-[3-pyridylmethyl-[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[pyridin-3-ylmethyl-[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino]benzoate Traditional Name: 4-[3-pyridylmethyl-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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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)OC)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)OC)OC

InChI

InChI=1S/C26H27N3O6S/c1-5-35-25(31)18-8-10-20(11-9-18)29(16-17-7-6-12-27-15-17)26(36)28-24(30)19-13-21(32-2)23(34-4)22(14-19)33-3/h6-15H,5,16H2,1-4H3,(H,28,30,36)